2-[[2-(benzenesulfonamido)acetyl]-(thiophen-2-ylmethyl)amino]-3-methyl-N-(oxolan-2-ylmethyl)butanamide

C23H31N3O5S2 — CID 3206823

IUPAC2-[[2-(benzenesulfonamido)acetyl]-(thiophen-2-ylmethyl)amino]-3-methyl-N-(oxolan-2-ylmethyl)butanamide
SMILESCC(C)C(C(=O)NCC1CCCO1)N(Cc1cccs1)C(=O)CNS(=O)(=O)c1ccccc1
InChIInChI=1S/C23H31N3O5S2/c1-17(2)22(23(28)24-14-18-8-6-12-31-18)26(16-19-9-7-13-32-19)21(27)15-25-33(29,30)20-10-4-3-5-11-20/h3-5,7,9-11,13,17-18,22,25H,6,8,12,14-16H2,1-2H3,(H,24,28)
InChIKeyKKDDHGCOSNPCCU-UHFFFAOYSA-N
MW493.65 g/mol
LogP2.38
Rot. Bonds11

About 2-[[2-(benzenesulfonamido)acetyl]-(thiophen-2-ylmethyl)amino]-3-methyl-N-(oxolan-2-ylmethyl)butanamide

2-[[2-(benzenesulfonamido)acetyl]-(thiophen-2-ylmethyl)amino]-3-methyl-N-(oxolan-2-ylmethyl)butanamide (PubChem CID 3206823) has the molecular formula C23H31N3O5S2 and a molecular weight of 493.65 g/mol. Its IUPAC name is 2-[[2-(benzenesulfonamido)acetyl]-(thiophen-2-ylmethyl)amino]-3-methyl-N-(oxolan-2-ylmethyl)butanamide.

Molecular Properties

Compound Name2-[[2-(benzenesulfonamido)acetyl]-(thiophen-2-ylmethyl)amino]-3-methyl-N-(oxolan-2-ylmethyl)butanamide
PubChem CID3206823
Molecular FormulaC23H31N3O5S2
Molecular Weight493.65 g/mol
Exact Mass493.17
IUPAC Name2-[[2-(benzenesulfonamido)acetyl]-(thiophen-2-ylmethyl)amino]-3-methyl-N-(oxolan-2-ylmethyl)butanamide
SMILESCC(C)C(C(=O)NCC1CCCO1)N(Cc1cccs1)C(=O)CNS(=O)(=O)c1ccccc1
InChIInChI=1S/C23H31N3O5S2/c1-17(2)22(23(28)24-14-18-8-6-12-31-18)26(16-19-9-7-13-32-19)21(27)15-25-33(29,30)20-10-4-3-5-11-20/h3-5,7,9-11,13,17-18,22,25H,6,8,12,14-16H2,1-2H3,(H,24,28)
InChIKeyKKDDHGCOSNPCCU-UHFFFAOYSA-N
XLogP2.38
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.65
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[2-(benzenesulfonamido)acetyl]-(thiophen-2-ylmethyl)amino]-3-methyl-N-(oxolan-2-ylmethyl)butanamide with MolForge

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Related Compounds

N-cyclohexyl-N~2~-(tetrahydrofuran-2-ylmethyl)-N~2~-(thiophen-2-ylacetyl)isovalinamide
CID 4233826
N1-benzyl-N2-((3-(thiophen-2-ylsulfonyl)oxazolidin-2-yl)methyl)oxalamide
CID 12006054
2-[(4-fluorophenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-(thiophen-2-ylmethyl)acetamide
CID 3207057
2-[(2-Benzenesulfonylamino-acetyl)-(tetrahydro-furan-2-ylmethyl)-amino]-3-methyl-N-(tetrahydro-furan-2-ylmethyl)-butyramide
CID 3207199
2-[[2-(benzenesulfonamido)acetyl]-(thiophen-2-ylmethyl)amino]-N-tert-butylbutanamide
CID 3206813
2-[(4-chlorophenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-(thiophen-2-ylmethyl)acetamide
CID 3207126
N'-[(4-methylphenyl)methyl]-N-{[3-(thiophene-2-sulfonyl)-1,3-oxazolidin-2-yl]methyl}ethanediamide
CID 12006052
N-(2-morpholino-2-(thiophen-2-yl)ethyl)-3-(phenylsulfonyl)propanamide
CID 45563755
N1-(2-((4-fluorophenyl)sulfonyl)-2-(thiophen-2-yl)ethyl)-N2-((tetrahydrofuran-2-yl)methyl)oxalamide
CID 18574197
N-cyclopentyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]butanamide
CID 3207046
Bes(4-F)-Gly-DL-N(thien-2-ylmethyl)Val-NHcPent
CID 3207047
Bes(4-F)-Gly-DL-N(thien-2-ylmethyl)Val-NHtBu
CID 3207051

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(benzenesulfonamido)acetyl]-(thiophen-2-ylmethyl)amino]-3-methyl-N-(oxolan-2-ylmethyl)butanamide?
The IUPAC name of 2-[[2-(benzenesulfonamido)acetyl]-(thiophen-2-ylmethyl)amino]-3-methyl-N-(oxolan-2-ylmethyl)butanamide (CID 3206823) is 2-[[2-(benzenesulfonamido)acetyl]-(thiophen-2-ylmethyl)amino]-3-methyl-N-(oxolan-2-ylmethyl)butanamide.
What is the SMILES notation for 2-[[2-(benzenesulfonamido)acetyl]-(thiophen-2-ylmethyl)amino]-3-methyl-N-(oxolan-2-ylmethyl)butanamide?
The canonical SMILES for 2-[[2-(benzenesulfonamido)acetyl]-(thiophen-2-ylmethyl)amino]-3-methyl-N-(oxolan-2-ylmethyl)butanamide is CC(C)C(C(=O)NCC1CCCO1)N(Cc1cccs1)C(=O)CNS(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[[2-(benzenesulfonamido)acetyl]-(thiophen-2-ylmethyl)amino]-3-methyl-N-(oxolan-2-ylmethyl)butanamide?
The InChIKey is KKDDHGCOSNPCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O5S2/c1-17(2)22(23(28)24-14-18-8-6-12-31-18)26(16-19-9-7-13-32-19)21(27)15-25-33(29,30)20-10-4-3-5-11-20/h3-5,7,9-11,13,17-18,22,25H,6,8,12,14-16H2,1-2H3,(H,24,28).
What are the key properties of 2-[[2-(benzenesulfonamido)acetyl]-(thiophen-2-ylmethyl)amino]-3-methyl-N-(oxolan-2-ylmethyl)butanamide?
2-[[2-(benzenesulfonamido)acetyl]-(thiophen-2-ylmethyl)amino]-3-methyl-N-(oxolan-2-ylmethyl)butanamide has a molecular weight of 493.65 g/mol, XLogP of 2.38, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(benzenesulfonamido)acetyl]-(thiophen-2-ylmethyl)amino]-3-methyl-N-(oxolan-2-ylmethyl)butanamide is sourced from PubChem (CID 3206823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).