N-[[2-[[4-[butanoyl(methyl)amino]phenyl]sulfonylamino]-5-chlorophenyl]methyl]-2-chloro-N-(furan-2-ylmethyl)benzamide

C30H29Cl2N3O5S — CID 170308496

IUPACN-[[2-[[4-[butanoyl(methyl)amino]phenyl]sulfonylamino]-5-chlorophenyl]methyl]-2-chloro-N-(furan-2-ylmethyl)benzamide
SMILESCCCC(=O)N(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2CN(Cc2ccco2)C(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C30H29Cl2N3O5S/c1-3-7-29(36)34(2)23-12-14-25(15-13-23)41(38,39)33-28-16-11-22(31)18-21(28)19-35(20-24-8-6-17-40-24)30(37)26-9-4-5-10-27(26)32/h4-6,8-18,33H,3,7,19-20H2,1-2H3
InChIKeyVCBQIXVJYJZNHO-UHFFFAOYSA-N
MW614.55 g/mol
LogP6.99
Rot. Bonds11

About N-[[2-[[4-[butanoyl(methyl)amino]phenyl]sulfonylamino]-5-chlorophenyl]methyl]-2-chloro-N-(furan-2-ylmethyl)benzamide

N-[[2-[[4-[butanoyl(methyl)amino]phenyl]sulfonylamino]-5-chlorophenyl]methyl]-2-chloro-N-(furan-2-ylmethyl)benzamide (PubChem CID 170308496) has the molecular formula C30H29Cl2N3O5S and a molecular weight of 614.55 g/mol. Its IUPAC name is N-[[2-[[4-[butanoyl(methyl)amino]phenyl]sulfonylamino]-5-chlorophenyl]methyl]-2-chloro-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[[2-[[4-[butanoyl(methyl)amino]phenyl]sulfonylamino]-5-chlorophenyl]methyl]-2-chloro-N-(furan-2-ylmethyl)benzamide
PubChem CID170308496
Molecular FormulaC30H29Cl2N3O5S
Molecular Weight614.55 g/mol
Exact Mass613.12
IUPAC NameN-[[2-[[4-[butanoyl(methyl)amino]phenyl]sulfonylamino]-5-chlorophenyl]methyl]-2-chloro-N-(furan-2-ylmethyl)benzamide
SMILESCCCC(=O)N(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2CN(Cc2ccco2)C(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C30H29Cl2N3O5S/c1-3-7-29(36)34(2)23-12-14-25(15-13-23)41(38,39)33-28-16-11-22(31)18-21(28)19-35(20-24-8-6-17-40-24)30(37)26-9-4-5-10-27(26)32/h4-6,8-18,33H,3,7,19-20H2,1-2H3
InChIKeyVCBQIXVJYJZNHO-UHFFFAOYSA-N
XLogP6.99
TPSA99.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.55
LogP ≤ 56.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-N-(furan-2-ylmethyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 58892098
ethyl 5-[[2-[[(2-chlorobenzoyl)-(furan-2-ylmethyl)amino]methyl]-5-(dimethylamino)phenyl]-ethylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylate
CID 169244719
ethyl 6-[[4-chloro-2-[[(2-chlorobenzoyl)-(furan-2-ylmethyl)amino]methyl]phenyl]-ethylsulfamoyl]-1-benzothiophene-2-carboxylate
CID 175511093
ethyl 5-[[2-[[(2-chlorobenzoyl)-(furan-2-ylmethyl)amino]methyl]-5-[ethyl(propyl)amino]phenyl]-ethylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylate
CID 175958163
2-[(4-chlorophenyl)sulfonylamino]-N,N-diethylbenzamide
CID 34838079
[4-chloro-2-[[ethylcarbamoyl(furan-2-ylmethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate
CID 42812230
2-chloro-N-(furan-2-ylmethyl)-N-[2-oxo-2-(N-phenylanilino)ethyl]benzamide
CID 1124595
3-(furan-2-yl)-N-methyl-N-(4-sulfamoylphenyl)propanamide
CID 61131132
2-chloro-N-[(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-(furan-2-ylmethyl)benzamide
CID 1460043
[4-chloro-2-[[ethylcarbamoyl(furan-2-ylmethyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate
CID 71955427
2-[(4-chlorophenyl)sulfonylamino]-N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 55620142
2-chloro-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)benzamide
CID 17012308

Frequently Asked Questions

What is the IUPAC name of N-[[2-[[4-[butanoyl(methyl)amino]phenyl]sulfonylamino]-5-chlorophenyl]methyl]-2-chloro-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of N-[[2-[[4-[butanoyl(methyl)amino]phenyl]sulfonylamino]-5-chlorophenyl]methyl]-2-chloro-N-(furan-2-ylmethyl)benzamide (CID 170308496) is N-[[2-[[4-[butanoyl(methyl)amino]phenyl]sulfonylamino]-5-chlorophenyl]methyl]-2-chloro-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for N-[[2-[[4-[butanoyl(methyl)amino]phenyl]sulfonylamino]-5-chlorophenyl]methyl]-2-chloro-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for N-[[2-[[4-[butanoyl(methyl)amino]phenyl]sulfonylamino]-5-chlorophenyl]methyl]-2-chloro-N-(furan-2-ylmethyl)benzamide is CCCC(=O)N(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2CN(Cc2ccco2)C(=O)c2ccccc2Cl)cc1.
What is the InChIKey of N-[[2-[[4-[butanoyl(methyl)amino]phenyl]sulfonylamino]-5-chlorophenyl]methyl]-2-chloro-N-(furan-2-ylmethyl)benzamide?
The InChIKey is VCBQIXVJYJZNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29Cl2N3O5S/c1-3-7-29(36)34(2)23-12-14-25(15-13-23)41(38,39)33-28-16-11-22(31)18-21(28)19-35(20-24-8-6-17-40-24)30(37)26-9-4-5-10-27(26)32/h4-6,8-18,33H,3,7,19-20H2,1-2H3.
What are the key properties of N-[[2-[[4-[butanoyl(methyl)amino]phenyl]sulfonylamino]-5-chlorophenyl]methyl]-2-chloro-N-(furan-2-ylmethyl)benzamide?
N-[[2-[[4-[butanoyl(methyl)amino]phenyl]sulfonylamino]-5-chlorophenyl]methyl]-2-chloro-N-(furan-2-ylmethyl)benzamide has a molecular weight of 614.55 g/mol, XLogP of 6.99, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[[4-[butanoyl(methyl)amino]phenyl]sulfonylamino]-5-chlorophenyl]methyl]-2-chloro-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 170308496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).