N-(3-benzyl-4-methoxyphenyl)-5-sulfamoylthiophene-3-carboxamide

C19H18N2O4S2 — CID 134045577

IUPACN-(3-benzyl-4-methoxyphenyl)-5-sulfamoylthiophene-3-carboxamide
SMILESCOc1ccc(NC(=O)c2csc(S(N)(=O)=O)c2)cc1Cc1ccccc1
InChIInChI=1S/C19H18N2O4S2/c1-25-17-8-7-16(10-14(17)9-13-5-3-2-4-6-13)21-19(22)15-11-18(26-12-15)27(20,23)24/h2-8,10-12H,9H2,1H3,(H,21,22)(H2,20,23,24)
InChIKeyDGNUCVORJGHWRC-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.25
Rot. Bonds6

About N-(3-benzyl-4-methoxyphenyl)-5-sulfamoylthiophene-3-carboxamide

N-(3-benzyl-4-methoxyphenyl)-5-sulfamoylthiophene-3-carboxamide (PubChem CID 134045577) has the molecular formula C19H18N2O4S2 and a molecular weight of 402.50 g/mol. Its IUPAC name is N-(3-benzyl-4-methoxyphenyl)-5-sulfamoylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(3-benzyl-4-methoxyphenyl)-5-sulfamoylthiophene-3-carboxamide
PubChem CID134045577
Molecular FormulaC19H18N2O4S2
Molecular Weight402.50 g/mol
Exact Mass402.07
IUPAC NameN-(3-benzyl-4-methoxyphenyl)-5-sulfamoylthiophene-3-carboxamide
SMILESCOc1ccc(NC(=O)c2csc(S(N)(=O)=O)c2)cc1Cc1ccccc1
InChIInChI=1S/C19H18N2O4S2/c1-25-17-8-7-16(10-14(17)9-13-5-3-2-4-6-13)21-19(22)15-11-18(26-12-15)27(20,23)24/h2-8,10-12H,9H2,1H3,(H,21,22)(H2,20,23,24)
InChIKeyDGNUCVORJGHWRC-UHFFFAOYSA-N
XLogP3.25
TPSA98.49 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 ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-benzyl-4-methoxyphenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 27038842
5-acetamido-N-(3-benzyl-4-methoxyphenyl)thiophene-2-carboxamide
CID 24575094
N-[4-[(3-benzyl-4-methoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 27038930
4-amino-N-(3-benzyl-4-methoxyphenyl)-3-nitrobenzamide
CID 42372191
3-amino-N-(3-benzyl-4-methoxyphenyl)pyrazine-2-carboxamide
CID 17443833
N-(3-benzyl-4-methoxyphenyl)-5-bromofuran-2-carboxamide
CID 42372295
2-amino-N-(3-benzyl-4-methoxyphenyl)-4-methylsulfonylbutanamide
CID 119956209
4-amino-N-(3-benzyl-4-methoxyphenyl)butanamide
CID 119274895
N-(3-benzyl-4-methoxyphenyl)thiophene-2-sulfonamide
CID 27301138
N-(3-benzyl-4-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 36591038
N-(3-benzyl-4-methoxyphenyl)-2-(4-methoxyphenyl)acetamide
CID 27038651
N-(3-fluoro-4-methylphenyl)-5-sulfamoylthiophene-3-carboxamide
CID 36650519

Frequently Asked Questions

What is the IUPAC name of N-(3-benzyl-4-methoxyphenyl)-5-sulfamoylthiophene-3-carboxamide?
The IUPAC name of N-(3-benzyl-4-methoxyphenyl)-5-sulfamoylthiophene-3-carboxamide (CID 134045577) is N-(3-benzyl-4-methoxyphenyl)-5-sulfamoylthiophene-3-carboxamide.
What is the SMILES notation for N-(3-benzyl-4-methoxyphenyl)-5-sulfamoylthiophene-3-carboxamide?
The canonical SMILES for N-(3-benzyl-4-methoxyphenyl)-5-sulfamoylthiophene-3-carboxamide is COc1ccc(NC(=O)c2csc(S(N)(=O)=O)c2)cc1Cc1ccccc1.
What is the InChIKey of N-(3-benzyl-4-methoxyphenyl)-5-sulfamoylthiophene-3-carboxamide?
The InChIKey is DGNUCVORJGHWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4S2/c1-25-17-8-7-16(10-14(17)9-13-5-3-2-4-6-13)21-19(22)15-11-18(26-12-15)27(20,23)24/h2-8,10-12H,9H2,1H3,(H,21,22)(H2,20,23,24).
What are the key properties of N-(3-benzyl-4-methoxyphenyl)-5-sulfamoylthiophene-3-carboxamide?
N-(3-benzyl-4-methoxyphenyl)-5-sulfamoylthiophene-3-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzyl-4-methoxyphenyl)-5-sulfamoylthiophene-3-carboxamide is sourced from PubChem (CID 134045577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).