2-chloro-4-(methanesulfonamido)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]benzamide

C19H23ClN2O5S — CID 92680149

IUPAC2-chloro-4-(methanesulfonamido)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]benzamide
SMILESCOc1cc(CNC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)ccc1OC(C)C
InChIInChI=1S/C19H23ClN2O5S/c1-12(2)27-17-8-5-13(9-18(17)26-3)11-21-19(23)15-7-6-14(10-16(15)20)22-28(4,24)25/h5-10,12,22H,11H2,1-4H3,(H,21,23)
InChIKeyHLGBBHKOLROBMO-UHFFFAOYSA-N
MW426.92 g/mol
LogP3.44
Rot. Bonds8

About 2-chloro-4-(methanesulfonamido)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]benzamide

2-chloro-4-(methanesulfonamido)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]benzamide (PubChem CID 92680149) has the molecular formula C19H23ClN2O5S and a molecular weight of 426.92 g/mol. Its IUPAC name is 2-chloro-4-(methanesulfonamido)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name2-chloro-4-(methanesulfonamido)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]benzamide
PubChem CID92680149
Molecular FormulaC19H23ClN2O5S
Molecular Weight426.92 g/mol
Exact Mass426.10
IUPAC Name2-chloro-4-(methanesulfonamido)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]benzamide
SMILESCOc1cc(CNC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)ccc1OC(C)C
InChIInChI=1S/C19H23ClN2O5S/c1-12(2)27-17-8-5-13(9-18(17)26-3)11-21-19(23)15-7-6-14(10-16(15)20)22-28(4,24)25/h5-10,12,22H,11H2,1-4H3,(H,21,23)
InChIKeyHLGBBHKOLROBMO-UHFFFAOYSA-N
XLogP3.44
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.92
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]-4-(methanesulfonamido)benzamide
CID 43885687
2-chloro-4-(methanesulfonamido)-N-(2-methoxyethyl)benzamide
CID 38003506
N-[(3,4-dimethoxyphenyl)methyl]-3-(methanesulfonamido)benzamide
CID 38001059
2,3-dimethoxy-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]benzamide
CID 100531207
2-chloro-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-nitrobenzamide
CID 9193851
1-(3-chloro-4-methylphenyl)-3-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]thiourea
CID 100668268
2-chloro-N-[(3,4-dimethoxyphenyl)methyl]-5-(methanesulfonamido)-N-methylbenzamide
CID 43910210
4-chloro-N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(methanesulfonamido)benzamide
CID 49021544
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 47002026
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]acetamide
CID 30222084
N-[(3,4-dimethoxyphenyl)methyl]-2,4-di(propan-2-yl)benzamide
CID 9404018
N-[(3-amino-4-methoxyphenyl)methyl]-2,4-dichlorobenzamide
CID 60972237

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(methanesulfonamido)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]benzamide?
The IUPAC name of 2-chloro-4-(methanesulfonamido)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]benzamide (CID 92680149) is 2-chloro-4-(methanesulfonamido)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]benzamide.
What is the SMILES notation for 2-chloro-4-(methanesulfonamido)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]benzamide?
The canonical SMILES for 2-chloro-4-(methanesulfonamido)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]benzamide is COc1cc(CNC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)ccc1OC(C)C.
What is the InChIKey of 2-chloro-4-(methanesulfonamido)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]benzamide?
The InChIKey is HLGBBHKOLROBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O5S/c1-12(2)27-17-8-5-13(9-18(17)26-3)11-21-19(23)15-7-6-14(10-16(15)20)22-28(4,24)25/h5-10,12,22H,11H2,1-4H3,(H,21,23).
What are the key properties of 2-chloro-4-(methanesulfonamido)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]benzamide?
2-chloro-4-(methanesulfonamido)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]benzamide has a molecular weight of 426.92 g/mol, XLogP of 3.44, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(methanesulfonamido)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]benzamide is sourced from PubChem (CID 92680149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).