3-(benzenesulfonamido)-N-benzylthiophene-2-carboxamide;thiophen-2-ylmethanamine

C23H23N3O3S3 — CID 70122550

IUPAC3-(benzenesulfonamido)-N-benzylthiophene-2-carboxamide;thiophen-2-ylmethanamine
SMILESNCc1cccs1.O=C(NCc1ccccc1)c1sccc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C18H16N2O3S2.C5H7NS/c21-18(19-13-14-7-3-1-4-8-14)17-16(11-12-24-17)20-25(22,23)15-9-5-2-6-10-15;6-4-5-2-1-3-7-5/h1-12,20H,13H2,(H,19,21);1-3H,4,6H2
InChIKeyHBVUCJUWGKEIQV-UHFFFAOYSA-N
MW485.66 g/mol
LogP4.69
Rot. Bonds7

About 3-(benzenesulfonamido)-N-benzylthiophene-2-carboxamide;thiophen-2-ylmethanamine

3-(benzenesulfonamido)-N-benzylthiophene-2-carboxamide;thiophen-2-ylmethanamine (PubChem CID 70122550) has the molecular formula C23H23N3O3S3 and a molecular weight of 485.66 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-N-benzylthiophene-2-carboxamide;thiophen-2-ylmethanamine.

Molecular Properties

Compound Name3-(benzenesulfonamido)-N-benzylthiophene-2-carboxamide;thiophen-2-ylmethanamine
PubChem CID70122550
Molecular FormulaC23H23N3O3S3
Molecular Weight485.66 g/mol
Exact Mass485.09
IUPAC Name3-(benzenesulfonamido)-N-benzylthiophene-2-carboxamide;thiophen-2-ylmethanamine
SMILESNCc1cccs1.O=C(NCc1ccccc1)c1sccc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C18H16N2O3S2.C5H7NS/c21-18(19-13-14-7-3-1-4-8-14)17-16(11-12-24-17)20-25(22,23)15-9-5-2-6-10-15;6-4-5-2-1-3-7-5/h1-12,20H,13H2,(H,19,21);1-3H,4,6H2
InChIKeyHBVUCJUWGKEIQV-UHFFFAOYSA-N
XLogP4.69
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.66
LogP ≤ 54.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[[3-(benzenesulfonamido)thiophene-2-carbonyl]amino]acetate
CID 19427368
2-(benzenesulfonamido)-N-benzylbenzamide
CID 1320833
3-(benzenesulfonamido)-N-(3-phenylphenyl)thiophene-2-carboxamide
CID 70122578
3-(benzenesulfonamido)-N-(4-methoxyphenyl)thiophene-2-carboxamide
CID 10178357
N-benzyl-2-(thiophen-2-ylmethylamino)acetamide
CID 43242498
N-benzylthiophene-2-carboxamide
CID 574227
3-(benzenesulfonamido)-N-(thiophen-2-ylmethyl)-1H-isoindole-5-carboxamide
CID 147308828
N-benzyl-4-thiophen-2-ylthiadiazole-5-carboxamide
CID 100751617
3-(3-aminoprop-1-ynyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 63798987
3-(benzenesulfonamido)-N-(4-propan-2-yloxyphenyl)thiophene-2-carboxamide
CID 10136677
3-(benzenesulfonamido)thiophene-2-carboxylic acid;4,6-dimethylpyridin-2-amine
CID 70122298
3-(benzenesulfonamido)-N-(1H-benzimidazol-2-yl)thiophene-2-carboxamide
CID 70120492

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)-N-benzylthiophene-2-carboxamide;thiophen-2-ylmethanamine?
The IUPAC name of 3-(benzenesulfonamido)-N-benzylthiophene-2-carboxamide;thiophen-2-ylmethanamine (CID 70122550) is 3-(benzenesulfonamido)-N-benzylthiophene-2-carboxamide;thiophen-2-ylmethanamine.
What is the SMILES notation for 3-(benzenesulfonamido)-N-benzylthiophene-2-carboxamide;thiophen-2-ylmethanamine?
The canonical SMILES for 3-(benzenesulfonamido)-N-benzylthiophene-2-carboxamide;thiophen-2-ylmethanamine is NCc1cccs1.O=C(NCc1ccccc1)c1sccc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonamido)-N-benzylthiophene-2-carboxamide;thiophen-2-ylmethanamine?
The InChIKey is HBVUCJUWGKEIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3S2.C5H7NS/c21-18(19-13-14-7-3-1-4-8-14)17-16(11-12-24-17)20-25(22,23)15-9-5-2-6-10-15;6-4-5-2-1-3-7-5/h1-12,20H,13H2,(H,19,21);1-3H,4,6H2.
What are the key properties of 3-(benzenesulfonamido)-N-benzylthiophene-2-carboxamide;thiophen-2-ylmethanamine?
3-(benzenesulfonamido)-N-benzylthiophene-2-carboxamide;thiophen-2-ylmethanamine has a molecular weight of 485.66 g/mol, XLogP of 4.69, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonamido)-N-benzylthiophene-2-carboxamide;thiophen-2-ylmethanamine is sourced from PubChem (CID 70122550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).