N-(2-methoxy-5-methylphenyl)-4-(thiophen-2-ylsulfonylamino)benzamide

C19H18N2O4S2 — CID 2480580

IUPACN-(2-methoxy-5-methylphenyl)-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESCOc1ccc(C)cc1NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C19H18N2O4S2/c1-13-5-10-17(25-2)16(12-13)20-19(22)14-6-8-15(9-7-14)21-27(23,24)18-4-3-11-26-18/h3-12,21H,1-2H3,(H,20,22)
InChIKeyDKFOEOCQRDBVKV-UHFFFAOYSA-N
MW402.50 g/mol
LogP4.12
Rot. Bonds6

About N-(2-methoxy-5-methylphenyl)-4-(thiophen-2-ylsulfonylamino)benzamide

N-(2-methoxy-5-methylphenyl)-4-(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 2480580) has the molecular formula C19H18N2O4S2 and a molecular weight of 402.50 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-4-(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-4-(thiophen-2-ylsulfonylamino)benzamide
PubChem CID2480580
Molecular FormulaC19H18N2O4S2
Molecular Weight402.50 g/mol
Exact Mass402.07
IUPAC NameN-(2-methoxy-5-methylphenyl)-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESCOc1ccc(C)cc1NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C19H18N2O4S2/c1-13-5-10-17(25-2)16(12-13)20-19(22)14-6-8-15(9-7-14)21-27(23,24)18-4-3-11-26-18/h3-12,21H,1-2H3,(H,20,22)
InChIKeyDKFOEOCQRDBVKV-UHFFFAOYSA-N
XLogP4.12
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-amino-5-(thiophen-2-yl)phenyl]-4-methoxybenzamide
CID 23648268
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 15945391
Thiophene-2-carboxylic acid (4-methoxy-biphenyl-3-yl)-amide
CID 1109361
N-{2-[(2-methoxyanilino)carbonyl]phenyl}-2-thiophenecarboxamide
CID 1116978
N-(4-{[4-(4-methoxyphenyl)piperazin-1-yl]carbonyl}phenyl)thiophene-2-sulfonamide
CID 6621172
N~1~-(2-methoxy-5-methylphenyl)-2-phenyl-2-[(2-thienylsulfonyl)amino]acetamide
CID 15988678
N-(4-Methoxyphenyl)-4-[3-(thiophene-2-sulfonyl)propanamido]benzamide
CID 15988744
N-o-anisyl-4-(2-thienylsulfonylamino)benzamide
CID 15997618
N-(2-methoxyphenyl)-4-[(methylsulfonyl)amino]benzamide
CID 973961
N-(4-methoxybenzoyl)-N-(4-methoxyphenyl)-2-thiophenesulfonamide
CID 993467
N-(4-methoxyphenyl)-N-(2-methylbenzoyl)-2-thiophenesulfonamide
CID 993468
N-[(1Z)-3-[(2-methoxyphenyl)amino]-4-oxo-1,4-dihydronaphthalen-1-ylidene]thiophene-2-sulfonamide
CID 1184135

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-4-(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-4-(thiophen-2-ylsulfonylamino)benzamide (CID 2480580) is N-(2-methoxy-5-methylphenyl)-4-(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-4-(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-4-(thiophen-2-ylsulfonylamino)benzamide is COc1ccc(C)cc1NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-4-(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is DKFOEOCQRDBVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4S2/c1-13-5-10-17(25-2)16(12-13)20-19(22)14-6-8-15(9-7-14)21-27(23,24)18-4-3-11-26-18/h3-12,21H,1-2H3,(H,20,22).
What are the key properties of N-(2-methoxy-5-methylphenyl)-4-(thiophen-2-ylsulfonylamino)benzamide?
N-(2-methoxy-5-methylphenyl)-4-(thiophen-2-ylsulfonylamino)benzamide has a molecular weight of 402.50 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-4-(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 2480580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).