3-phenyl-N-(4-phenylbutan-2-yl)-2-(thiophen-2-ylsulfonylamino)propanamide

C23H26N2O3S2 — CID 4084131

IUPAC3-phenyl-N-(4-phenylbutan-2-yl)-2-(thiophen-2-ylsulfonylamino)propanamide
SMILESCC(CCc1ccccc1)NC(=O)C(Cc1ccccc1)NS(=O)(=O)c1cccs1
InChIInChI=1S/C23H26N2O3S2/c1-18(14-15-19-9-4-2-5-10-19)24-23(26)21(17-20-11-6-3-7-12-20)25-30(27,28)22-13-8-16-29-22/h2-13,16,18,21,25H,14-15,17H2,1H3,(H,24,26)
InChIKeyQQKLKGNIZOVBHM-UHFFFAOYSA-N
MW442.61 g/mol
LogP3.78
Rot. Bonds10

About 3-phenyl-N-(4-phenylbutan-2-yl)-2-(thiophen-2-ylsulfonylamino)propanamide

3-phenyl-N-(4-phenylbutan-2-yl)-2-(thiophen-2-ylsulfonylamino)propanamide (PubChem CID 4084131) has the molecular formula C23H26N2O3S2 and a molecular weight of 442.61 g/mol. Its IUPAC name is 3-phenyl-N-(4-phenylbutan-2-yl)-2-(thiophen-2-ylsulfonylamino)propanamide.

Molecular Properties

Compound Name3-phenyl-N-(4-phenylbutan-2-yl)-2-(thiophen-2-ylsulfonylamino)propanamide
PubChem CID4084131
Molecular FormulaC23H26N2O3S2
Molecular Weight442.61 g/mol
Exact Mass442.14
IUPAC Name3-phenyl-N-(4-phenylbutan-2-yl)-2-(thiophen-2-ylsulfonylamino)propanamide
SMILESCC(CCc1ccccc1)NC(=O)C(Cc1ccccc1)NS(=O)(=O)c1cccs1
InChIInChI=1S/C23H26N2O3S2/c1-18(14-15-19-9-4-2-5-10-19)24-23(26)21(17-20-11-6-3-7-12-20)25-30(27,28)22-13-8-16-29-22/h2-13,16,18,21,25H,14-15,17H2,1H3,(H,24,26)
InChIKeyQQKLKGNIZOVBHM-UHFFFAOYSA-N
XLogP3.78
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.61
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Batimastat
CID 5362422
N-(2-(4-(aminosulfonyl)phenyl)ethyl)-2-(2-thienyl)acetamide
CID 670786
Ethyl 2-[[3-phenyl-2-(thiophen-2-ylsulfonylamino)propanoyl]amino]acetate
CID 3243538
Batimastat (BB-94)
CID 2299
(S)-2-amino-N-((S)-1-cyano-2-(5-phenylthiophen-2-yl)ethyl)-3-(thiophen-2-yl)propanamide
CID 46883464
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CID 23643986
(S)-2-amino-N-((S)-1-cyano-2-phenylethyl)-3-(thiophen-2-yl)propanamide
CID 46883427
N-(4-phenylbutan-2-yl)-2-(thiophen-2-yl)acetamide
CID 2914787
N-[2-(4-Methylphenyl)ethyl]-1-(thiophene-2-sulfonyl)piperidine-3-carboxamide
CID 4089362
N-[(4-methylphenyl)methyl]-4-[(thiophene-2-sulfonamido)methyl]cyclohexane-1-carboxamide
CID 5322912
N-benzyl-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
CID 5322919
N~1~-benzyl-N~1~-methyl-N~2~-(thien-2-ylsulfonyl)valinamide
CID 6619218

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-(4-phenylbutan-2-yl)-2-(thiophen-2-ylsulfonylamino)propanamide?
The IUPAC name of 3-phenyl-N-(4-phenylbutan-2-yl)-2-(thiophen-2-ylsulfonylamino)propanamide (CID 4084131) is 3-phenyl-N-(4-phenylbutan-2-yl)-2-(thiophen-2-ylsulfonylamino)propanamide.
What is the SMILES notation for 3-phenyl-N-(4-phenylbutan-2-yl)-2-(thiophen-2-ylsulfonylamino)propanamide?
The canonical SMILES for 3-phenyl-N-(4-phenylbutan-2-yl)-2-(thiophen-2-ylsulfonylamino)propanamide is CC(CCc1ccccc1)NC(=O)C(Cc1ccccc1)NS(=O)(=O)c1cccs1.
What is the InChIKey of 3-phenyl-N-(4-phenylbutan-2-yl)-2-(thiophen-2-ylsulfonylamino)propanamide?
The InChIKey is QQKLKGNIZOVBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3S2/c1-18(14-15-19-9-4-2-5-10-19)24-23(26)21(17-20-11-6-3-7-12-20)25-30(27,28)22-13-8-16-29-22/h2-13,16,18,21,25H,14-15,17H2,1H3,(H,24,26).
What are the key properties of 3-phenyl-N-(4-phenylbutan-2-yl)-2-(thiophen-2-ylsulfonylamino)propanamide?
3-phenyl-N-(4-phenylbutan-2-yl)-2-(thiophen-2-ylsulfonylamino)propanamide has a molecular weight of 442.61 g/mol, XLogP of 3.78, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-(4-phenylbutan-2-yl)-2-(thiophen-2-ylsulfonylamino)propanamide is sourced from PubChem (CID 4084131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).