N-(3-acetamido-4-methoxyphenyl)-2-chloro-5-(propan-2-ylsulfamoyl)benzamide

C19H22ClN3O5S — CID 24666791

IUPACN-(3-acetamido-4-methoxyphenyl)-2-chloro-5-(propan-2-ylsulfamoyl)benzamide
SMILESCOc1ccc(NC(=O)c2cc(S(=O)(=O)NC(C)C)ccc2Cl)cc1NC(C)=O
InChIInChI=1S/C19H22ClN3O5S/c1-11(2)23-29(26,27)14-6-7-16(20)15(10-14)19(25)22-13-5-8-18(28-4)17(9-13)21-12(3)24/h5-11,23H,1-4H3,(H,21,24)(H,22,25)
InChIKeyFVSCVVQMGIEJFT-UHFFFAOYSA-N
MW439.92 g/mol
LogP3.25
Rot. Bonds7

About N-(3-acetamido-4-methoxyphenyl)-2-chloro-5-(propan-2-ylsulfamoyl)benzamide

N-(3-acetamido-4-methoxyphenyl)-2-chloro-5-(propan-2-ylsulfamoyl)benzamide (PubChem CID 24666791) has the molecular formula C19H22ClN3O5S and a molecular weight of 439.92 g/mol. Its IUPAC name is N-(3-acetamido-4-methoxyphenyl)-2-chloro-5-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(3-acetamido-4-methoxyphenyl)-2-chloro-5-(propan-2-ylsulfamoyl)benzamide
PubChem CID24666791
Molecular FormulaC19H22ClN3O5S
Molecular Weight439.92 g/mol
Exact Mass439.10
IUPAC NameN-(3-acetamido-4-methoxyphenyl)-2-chloro-5-(propan-2-ylsulfamoyl)benzamide
SMILESCOc1ccc(NC(=O)c2cc(S(=O)(=O)NC(C)C)ccc2Cl)cc1NC(C)=O
InChIInChI=1S/C19H22ClN3O5S/c1-11(2)23-29(26,27)14-6-7-16(20)15(10-14)19(25)22-13-5-8-18(28-4)17(9-13)21-12(3)24/h5-11,23H,1-4H3,(H,21,24)(H,22,25)
InChIKeyFVSCVVQMGIEJFT-UHFFFAOYSA-N
XLogP3.25
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.92
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-tert-butylphenyl)-2-chloro-5-(propan-2-ylsulfamoyl)benzamide
CID 34756542
2-chloro-N-methoxy-5-(propan-2-ylsulfamoyl)benzamide
CID 51316610
2-methoxy-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-5-piperidin-1-ylsulfonylbenzamide
CID 28575609
3-methoxy-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]naphthalene-2-carboxamide
CID 43908127
3-[[2-chloro-5-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]benzoic acid
CID 1356397
N-[5-[[(2S)-butan-2-yl]sulfamoyl]-2-methoxyphenyl]acetamide
CID 8777670
5-bromo-N-[3-[(5-bromo-2-chlorobenzoyl)amino]-4-methoxyphenyl]-2-chlorobenzamide
CID 3910940
N-[5-[[(1S)-1-(2,4-dichlorophenyl)ethyl]sulfamoyl]-2-methoxyphenyl]acetamide
CID 8797504
2-(2-chlorophenyl)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 100632426
2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 2332788
N-[2-methoxy-5-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]sulfamoyl]phenyl]acetamide
CID 9190712
2-chloro-N-(3-chloro-4-methoxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26822918

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-methoxyphenyl)-2-chloro-5-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of N-(3-acetamido-4-methoxyphenyl)-2-chloro-5-(propan-2-ylsulfamoyl)benzamide (CID 24666791) is N-(3-acetamido-4-methoxyphenyl)-2-chloro-5-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-(3-acetamido-4-methoxyphenyl)-2-chloro-5-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-(3-acetamido-4-methoxyphenyl)-2-chloro-5-(propan-2-ylsulfamoyl)benzamide is COc1ccc(NC(=O)c2cc(S(=O)(=O)NC(C)C)ccc2Cl)cc1NC(C)=O.
What is the InChIKey of N-(3-acetamido-4-methoxyphenyl)-2-chloro-5-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is FVSCVVQMGIEJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O5S/c1-11(2)23-29(26,27)14-6-7-16(20)15(10-14)19(25)22-13-5-8-18(28-4)17(9-13)21-12(3)24/h5-11,23H,1-4H3,(H,21,24)(H,22,25).
What are the key properties of N-(3-acetamido-4-methoxyphenyl)-2-chloro-5-(propan-2-ylsulfamoyl)benzamide?
N-(3-acetamido-4-methoxyphenyl)-2-chloro-5-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 439.92 g/mol, XLogP of 3.25, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-4-methoxyphenyl)-2-chloro-5-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 24666791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).