N-(3-acetamido-4-methoxyphenyl)-2-(methanesulfonamido)benzamide

C17H19N3O5S — CID 25484331

IUPACN-(3-acetamido-4-methoxyphenyl)-2-(methanesulfonamido)benzamide
SMILESCOc1ccc(NC(=O)c2ccccc2NS(C)(=O)=O)cc1NC(C)=O
InChIInChI=1S/C17H19N3O5S/c1-11(21)18-15-10-12(8-9-16(15)25-2)19-17(22)13-6-4-5-7-14(13)20-26(3,23)24/h4-10,20H,1-3H3,(H,18,21)(H,19,22)
InChIKeyCIBYQIQNBPDHTB-UHFFFAOYSA-N
MW377.42 g/mol
LogP2.28
Rot. Bonds6

About N-(3-acetamido-4-methoxyphenyl)-2-(methanesulfonamido)benzamide

N-(3-acetamido-4-methoxyphenyl)-2-(methanesulfonamido)benzamide (PubChem CID 25484331) has the molecular formula C17H19N3O5S and a molecular weight of 377.42 g/mol. Its IUPAC name is N-(3-acetamido-4-methoxyphenyl)-2-(methanesulfonamido)benzamide.

Molecular Properties

Compound NameN-(3-acetamido-4-methoxyphenyl)-2-(methanesulfonamido)benzamide
PubChem CID25484331
Molecular FormulaC17H19N3O5S
Molecular Weight377.42 g/mol
Exact Mass377.10
IUPAC NameN-(3-acetamido-4-methoxyphenyl)-2-(methanesulfonamido)benzamide
SMILESCOc1ccc(NC(=O)c2ccccc2NS(C)(=O)=O)cc1NC(C)=O
InChIInChI=1S/C17H19N3O5S/c1-11(21)18-15-10-12(8-9-16(15)25-2)19-17(22)13-6-4-5-7-14(13)20-26(3,23)24/h4-10,20H,1-3H3,(H,18,21)(H,19,22)
InChIKeyCIBYQIQNBPDHTB-UHFFFAOYSA-N
XLogP2.28
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methylbenzamide
CID 134019085
2-(methanesulfonamido)-N-(2-methoxyphenyl)benzamide
CID 1266369
2-[(3-acetamido-4-methoxyphenyl)sulfonylamino]-N-(4-methylphenyl)benzamide
CID 71903202
N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methylfuran-3-carboxamide
CID 134019111
5-acetamido-N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(methanesulfonamido)benzamide
CID 56516233
N-(3-acetamido-4-methoxyphenyl)-4-(phenylsulfamoyl)benzamide
CID 24666755
2-[(3-acetamido-4-methoxyphenyl)sulfonylamino]-N-propylbenzamide
CID 4792730
3-(cyclopropanecarbonylamino)-N-[3-(methanesulfonamido)-4-methoxyphenyl]naphthalene-2-carboxamide
CID 24673279
N-[3-(methanesulfonamido)-4-methoxyphenyl]isoquinoline-1-carboxamide
CID 52788633
2-[(4-fluorophenyl)methoxy]-N-[4-(methanesulfonamido)-3-methoxyphenyl]benzamide
CID 37259434
N-(3-acetamido-4-methoxyphenyl)-2,4-difluorobenzamide
CID 33307531
N-(5-acetamido-2-methoxyphenyl)-2,3-dichlorobenzamide
CID 17429613

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-methoxyphenyl)-2-(methanesulfonamido)benzamide?
The IUPAC name of N-(3-acetamido-4-methoxyphenyl)-2-(methanesulfonamido)benzamide (CID 25484331) is N-(3-acetamido-4-methoxyphenyl)-2-(methanesulfonamido)benzamide.
What is the SMILES notation for N-(3-acetamido-4-methoxyphenyl)-2-(methanesulfonamido)benzamide?
The canonical SMILES for N-(3-acetamido-4-methoxyphenyl)-2-(methanesulfonamido)benzamide is COc1ccc(NC(=O)c2ccccc2NS(C)(=O)=O)cc1NC(C)=O.
What is the InChIKey of N-(3-acetamido-4-methoxyphenyl)-2-(methanesulfonamido)benzamide?
The InChIKey is CIBYQIQNBPDHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5S/c1-11(21)18-15-10-12(8-9-16(15)25-2)19-17(22)13-6-4-5-7-14(13)20-26(3,23)24/h4-10,20H,1-3H3,(H,18,21)(H,19,22).
What are the key properties of N-(3-acetamido-4-methoxyphenyl)-2-(methanesulfonamido)benzamide?
N-(3-acetamido-4-methoxyphenyl)-2-(methanesulfonamido)benzamide has a molecular weight of 377.42 g/mol, XLogP of 2.28, 6 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-(methanesulfonamido)benzamide is sourced from PubChem (CID 25484331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).