N-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl]-N-[2-[4-[(4-methoxyphenyl)methylsulfamoyl]phenyl]ethyl]-2-phenylacetamide;N-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-[2-[4-[(4-methoxyphenyl)methylsulfamoyl]phenyl]ethyl]-2-phenylacetamide

C73H74Cl2N4O10S2 — CID 167678238

IUPACN-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl]-N-[2-[4-[(4-methoxyphenyl)methylsulfamoyl]phenyl]ethyl]-2-phenylacetamide;N-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-[2-[4-[(4-methoxyphenyl)methylsulfamoyl]phenyl]ethyl]-2-phenylacetamide
SMILESCOc1ccc(CNS(=O)(=O)c2ccc(CCN(Cc3cc(Cl)ccc3OCC3CC3)C(=O)Cc3ccccc3)cc2)cc1.COc1ccc(CNS(=O)(=O)c2ccc(CCN(Cc3cc(Cl)ccc3OCc3ccccc3)C(=O)Cc3ccccc3)cc2)cc1
InChIInChI=1S/C38H37ClN2O5S.C35H37ClN2O5S/c1-45-35-17-12-31(13-18-35)26-40-47(43,44)36-19-14-29(15-20-36)22-23-41(38(42)24-30-8-4-2-5-9-30)27-33-25-34(39)16-21-37(33)46-28-32-10-6-3-7-11-32;1-42-32-14-9-28(10-15-32)23-37-44(40,41)33-16-11-26(12-17-33)19-20-38(35(39)21-27-5-3-2-4-6-27)24-30-22-31(36)13-18-34(30)43-25-29-7-8-29/h2-21,25,40H,22-24,26-28H2,1H3;2-6,9-18,22,29,37H,7-8,19-21,23-25H2,1H3
InChIKeyVDGGDLOGOARIJQ-UHFFFAOYSA-N
MW1302.45 g/mol
LogP13.65
Rot. Bonds30

About N-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl]-N-[2-[4-[(4-methoxyphenyl)methylsulfamoyl]phenyl]ethyl]-2-phenylacetamide;N-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-[2-[4-[(4-methoxyphenyl)methylsulfamoyl]phenyl]ethyl]-2-phenylacetamide

N-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl]-N-[2-[4-[(4-methoxyphenyl)methylsulfamoyl]phenyl]ethyl]-2-phenylacetamide;N-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-[2-[4-[(4-methoxyphenyl)methylsulfamoyl]phenyl]ethyl]-2-phenylacetamide (PubChem CID 167678238) has the molecular formula C73H74Cl2N4O10S2 and a molecular weight of 1302.45 g/mol. Its IUPAC name is N-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl]-N-[2-[4-[(4-methoxyphenyl)methylsulfamoyl]phenyl]ethyl]-2-phenylacetamide;N-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-[2-[4-[(4-methoxyphenyl)methylsulfamoyl]phenyl]ethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl]-N-[2-[4-[(4-methoxyphenyl)methylsulfamoyl]phenyl]ethyl]-2-phenylacetamide;N-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-[2-[4-[(4-methoxyphenyl)methylsulfamoyl]phenyl]ethyl]-2-phenylacetamide
PubChem CID167678238
Molecular FormulaC73H74Cl2N4O10S2
Molecular Weight1302.45 g/mol
Exact Mass1300.42
IUPAC NameN-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl]-N-[2-[4-[(4-methoxyphenyl)methylsulfamoyl]phenyl]ethyl]-2-phenylacetamide;N-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-[2-[4-[(4-methoxyphenyl)methylsulfamoyl]phenyl]ethyl]-2-phenylacetamide
SMILESCOc1ccc(CNS(=O)(=O)c2ccc(CCN(Cc3cc(Cl)ccc3OCC3CC3)C(=O)Cc3ccccc3)cc2)cc1.COc1ccc(CNS(=O)(=O)c2ccc(CCN(Cc3cc(Cl)ccc3OCc3ccccc3)C(=O)Cc3ccccc3)cc2)cc1
InChIInChI=1S/C38H37ClN2O5S.C35H37ClN2O5S/c1-45-35-17-12-31(13-18-35)26-40-47(43,44)36-19-14-29(15-20-36)22-23-41(38(42)24-30-8-4-2-5-9-30)27-33-25-34(39)16-21-37(33)46-28-32-10-6-3-7-11-32;1-42-32-14-9-28(10-15-32)23-37-44(40,41)33-16-11-26(12-17-33)19-20-38(35(39)21-27-5-3-2-4-6-27)24-30-22-31(36)13-18-34(30)43-25-29-7-8-29/h2-21,25,40H,22-24,26-28H2,1H3;2-6,9-18,22,29,37H,7-8,19-21,23-25H2,1H3
InChIKeyVDGGDLOGOARIJQ-UHFFFAOYSA-N
XLogP13.65
TPSA169.88 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds30
Heavy Atoms91
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001302.45
LogP ≤ 513.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl]-N-[2-[4-[(4-methoxyphenyl)methylsulfamoyl]phenyl]ethyl]-2-phenylacetamide;N-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-[2-[4-[(4-methoxyphenyl)methylsulfamoyl]phenyl]ethyl]-2-phenylacetamide with MolForge

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Related Compounds

2-[5-chloro-2-[(4-methoxyphenyl)methoxy]phenyl]acetic acid
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N-[(4-ethoxy-3-fluorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 110782021
[5-chloro-2-(cyclopropylmethoxy)phenyl]methanesulfonyl chloride
CID 117475696
[5-chloro-2-[(4-methoxyphenyl)methoxy]phenyl]methanol
CID 43141927
5-(benzylsulfamoyl)-N-(5-chloro-2-methoxyphenyl)-2-methylbenzamide
CID 30281901
N-[(5-chloro-2-nitrophenyl)methyl]-N-[2-[4-(prop-2-ynylsulfamoyl)phenyl]ethyl]-2-thiophen-3-ylacetamide
CID 164848770
N-benzyl-5-chloro-2-ethoxybenzenesulfonamide
CID 2992012
3-chloro-4-fluoro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
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CID 55331004
4-(benzenesulfonamidomethyl)-N-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 5323358

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl]-N-[2-[4-[(4-methoxyphenyl)methylsulfamoyl]phenyl]ethyl]-2-phenylacetamide;N-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-[2-[4-[(4-methoxyphenyl)methylsulfamoyl]phenyl]ethyl]-2-phenylacetamide?
The IUPAC name of N-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl]-N-[2-[4-[(4-methoxyphenyl)methylsulfamoyl]phenyl]ethyl]-2-phenylacetamide;N-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-[2-[4-[(4-methoxyphenyl)methylsulfamoyl]phenyl]ethyl]-2-phenylacetamide (CID 167678238) is N-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl]-N-[2-[4-[(4-methoxyphenyl)methylsulfamoyl]phenyl]ethyl]-2-phenylacetamide;N-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-[2-[4-[(4-methoxyphenyl)methylsulfamoyl]phenyl]ethyl]-2-phenylacetamide.
What is the SMILES notation for N-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl]-N-[2-[4-[(4-methoxyphenyl)methylsulfamoyl]phenyl]ethyl]-2-phenylacetamide;N-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-[2-[4-[(4-methoxyphenyl)methylsulfamoyl]phenyl]ethyl]-2-phenylacetamide?
The canonical SMILES for N-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl]-N-[2-[4-[(4-methoxyphenyl)methylsulfamoyl]phenyl]ethyl]-2-phenylacetamide;N-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-[2-[4-[(4-methoxyphenyl)methylsulfamoyl]phenyl]ethyl]-2-phenylacetamide is COc1ccc(CNS(=O)(=O)c2ccc(CCN(Cc3cc(Cl)ccc3OCC3CC3)C(=O)Cc3ccccc3)cc2)cc1.COc1ccc(CNS(=O)(=O)c2ccc(CCN(Cc3cc(Cl)ccc3OCc3ccccc3)C(=O)Cc3ccccc3)cc2)cc1.
What is the InChIKey of N-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl]-N-[2-[4-[(4-methoxyphenyl)methylsulfamoyl]phenyl]ethyl]-2-phenylacetamide;N-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-[2-[4-[(4-methoxyphenyl)methylsulfamoyl]phenyl]ethyl]-2-phenylacetamide?
The InChIKey is VDGGDLOGOARIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H37ClN2O5S.C35H37ClN2O5S/c1-45-35-17-12-31(13-18-35)26-40-47(43,44)36-19-14-29(15-20-36)22-23-41(38(42)24-30-8-4-2-5-9-30)27-33-25-34(39)16-21-37(33)46-28-32-10-6-3-7-11-32;1-42-32-14-9-28(10-15-32)23-37-44(40,41)33-16-11-26(12-17-33)19-20-38(35(39)21-27-5-3-2-4-6-27)24-30-22-31(36)13-18-34(30)43-25-29-7-8-29/h2-21,25,40H,22-24,26-28H2,1H3;2-6,9-18,22,29,37H,7-8,19-21,23-25H2,1H3.
What are the key properties of N-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl]-N-[2-[4-[(4-methoxyphenyl)methylsulfamoyl]phenyl]ethyl]-2-phenylacetamide;N-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-[2-[4-[(4-methoxyphenyl)methylsulfamoyl]phenyl]ethyl]-2-phenylacetamide?
N-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl]-N-[2-[4-[(4-methoxyphenyl)methylsulfamoyl]phenyl]ethyl]-2-phenylacetamide;N-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-[2-[4-[(4-methoxyphenyl)methylsulfamoyl]phenyl]ethyl]-2-phenylacetamide has a molecular weight of 1302.45 g/mol, XLogP of 13.65, 30 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl]-N-[2-[4-[(4-methoxyphenyl)methylsulfamoyl]phenyl]ethyl]-2-phenylacetamide;N-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-[2-[4-[(4-methoxyphenyl)methylsulfamoyl]phenyl]ethyl]-2-phenylacetamide is sourced from PubChem (CID 167678238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).