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

C23H31N3O6S — CID 654223

IUPAC2-[[2-(benzenesulfonamido)acetyl]-(furan-2-ylmethyl)amino]-3-methyl-N-(oxolan-2-ylmethyl)butanamide
SMILESCC(C)C(C(=O)NCC1CCCO1)N(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccccc1
InChIInChI=1S/C23H31N3O6S/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)
InChIKeyGXQYSJKMZXMBCF-UHFFFAOYSA-N
MW477.58 g/mol
LogP1.91
Rot. Bonds11

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

2-[[2-(benzenesulfonamido)acetyl]-(furan-2-ylmethyl)amino]-3-methyl-N-(oxolan-2-ylmethyl)butanamide (PubChem CID 654223) has the molecular formula C23H31N3O6S and a molecular weight of 477.58 g/mol. Its IUPAC name is 2-[[2-(benzenesulfonamido)acetyl]-(furan-2-ylmethyl)amino]-3-methyl-N-(oxolan-2-ylmethyl)butanamide.

Molecular Properties

Compound Name2-[[2-(benzenesulfonamido)acetyl]-(furan-2-ylmethyl)amino]-3-methyl-N-(oxolan-2-ylmethyl)butanamide
PubChem CID654223
Molecular FormulaC23H31N3O6S
Molecular Weight477.58 g/mol
Exact Mass477.19
IUPAC Name2-[[2-(benzenesulfonamido)acetyl]-(furan-2-ylmethyl)amino]-3-methyl-N-(oxolan-2-ylmethyl)butanamide
SMILESCC(C)C(C(=O)NCC1CCCO1)N(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccccc1
InChIInChI=1S/C23H31N3O6S/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)
InChIKeyGXQYSJKMZXMBCF-UHFFFAOYSA-N
XLogP1.91
TPSA117.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.58
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-3-methyl-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]butanamide
CID 124765244
3-methyl-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]-N-(oxolan-2-ylmethyl)butanamide
CID 3206894
2-(benzenesulfonamido)-N-(oxolan-2-ylmethyl)acetamide
CID 2942219
N-tert-butyl-2-[furan-2-ylmethyl-[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-3-methylbutanamide
CID 3206911
2-[furan-2-ylmethyl-[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-3-methyl-N-(2-methylbutan-2-yl)butanamide
CID 3206914
N-cyclopentyl-N'-(furan-2-ylmethyl)-N'-[(1R)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]-1-phenylethyl]oxamide
CID 25412581
2-(N-[2-(benzenesulfonamido)acetyl]-4-fluoroanilino)-N-(furan-2-ylmethyl)-3-methylbutanamide
CID 3206863
N-tert-butyl-3-methyl-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]butanamide
CID 3206890
4-(benzenesulfonamidomethyl)-N-[1-oxo-1-(oxolan-2-ylmethylamino)propan-2-yl]cyclohexane-1-carboxamide
CID 45371248
4-(benzenesulfonamidomethyl)-N-[(2S)-1-oxo-1-[[(2R)-oxolan-2-yl]methylamino]propan-2-yl]cyclohexane-1-carboxamide
CID 41111646
2-[(2-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 112991400
2-(benzenesulfonamido)-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(furan-2-ylmethyl)acetamide
CID 3389812

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(benzenesulfonamido)acetyl]-(furan-2-ylmethyl)amino]-3-methyl-N-(oxolan-2-ylmethyl)butanamide?
The IUPAC name of 2-[[2-(benzenesulfonamido)acetyl]-(furan-2-ylmethyl)amino]-3-methyl-N-(oxolan-2-ylmethyl)butanamide (CID 654223) is 2-[[2-(benzenesulfonamido)acetyl]-(furan-2-ylmethyl)amino]-3-methyl-N-(oxolan-2-ylmethyl)butanamide.
What is the SMILES notation for 2-[[2-(benzenesulfonamido)acetyl]-(furan-2-ylmethyl)amino]-3-methyl-N-(oxolan-2-ylmethyl)butanamide?
The canonical SMILES for 2-[[2-(benzenesulfonamido)acetyl]-(furan-2-ylmethyl)amino]-3-methyl-N-(oxolan-2-ylmethyl)butanamide is CC(C)C(C(=O)NCC1CCCO1)N(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[[2-(benzenesulfonamido)acetyl]-(furan-2-ylmethyl)amino]-3-methyl-N-(oxolan-2-ylmethyl)butanamide?
The InChIKey is GXQYSJKMZXMBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O6S/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]-(furan-2-ylmethyl)amino]-3-methyl-N-(oxolan-2-ylmethyl)butanamide?
2-[[2-(benzenesulfonamido)acetyl]-(furan-2-ylmethyl)amino]-3-methyl-N-(oxolan-2-ylmethyl)butanamide has a molecular weight of 477.58 g/mol, XLogP of 1.91, 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]-(furan-2-ylmethyl)amino]-3-methyl-N-(oxolan-2-ylmethyl)butanamide is sourced from PubChem (CID 654223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).