(2R)-N-[(1R)-1-(furan-2-yl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanamide

C18H24N2O5S — CID 39965551

IUPAC(2R)-N-[(1R)-1-(furan-2-yl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanamide
SMILESCOc1ccc(S(=O)(=O)N[C@@H](C(=O)N[C@H](C)c2ccco2)C(C)C)cc1
InChIInChI=1S/C18H24N2O5S/c1-12(2)17(18(21)19-13(3)16-6-5-11-25-16)20-26(22,23)15-9-7-14(24-4)8-10-15/h5-13,17,20H,1-4H3,(H,19,21)/t13-,17-/m1/s1
InChIKeyYUNLXCVJLLBMBO-CXAGYDPISA-N
MW380.47 g/mol
LogP2.47
Rot. Bonds8

About (2R)-N-[(1R)-1-(furan-2-yl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanamide

(2R)-N-[(1R)-1-(furan-2-yl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanamide (PubChem CID 39965551) has the molecular formula C18H24N2O5S and a molecular weight of 380.47 g/mol. Its IUPAC name is (2R)-N-[(1R)-1-(furan-2-yl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-N-[(1R)-1-(furan-2-yl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanamide
PubChem CID39965551
Molecular FormulaC18H24N2O5S
Molecular Weight380.47 g/mol
Exact Mass380.14
IUPAC Name(2R)-N-[(1R)-1-(furan-2-yl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanamide
SMILESCOc1ccc(S(=O)(=O)N[C@@H](C(=O)N[C@H](C)c2ccco2)C(C)C)cc1
InChIInChI=1S/C18H24N2O5S/c1-12(2)17(18(21)19-13(3)16-6-5-11-25-16)20-26(22,23)15-9-7-14(24-4)8-10-15/h5-13,17,20H,1-4H3,(H,19,21)/t13-,17-/m1/s1
InChIKeyYUNLXCVJLLBMBO-CXAGYDPISA-N
XLogP2.47
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-N-[(1R)-1-(furan-2-yl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanamide with MolForge

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Related Compounds

2-[(2-fluorophenyl)sulfonylamino]-N-[1-(furan-2-yl)ethyl]-3-methylbutanamide
CID 73419570
N-(furan-2-ylmethyl)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylpentanamide
CID 42703821
N-[2-(ethylamino)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanamide;hydrochloride
CID 119508078
2-acetamido-N-[1-(furan-2-yl)ethyl]-3-methylbutanamide
CID 18127116
N-[4-[1-[[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoyl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 46599200
2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-phenylmethoxybutanamide
CID 57196287
N-[(1S)-1-(furan-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide
CID 8817788
methyl (2R,3S)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanoate
CID 50906677
3-(furan-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]-N-(3-methylbutyl)propanamide
CID 4570118
(2R,3S)-N,3-dihydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanamide
CID 50907085
N'-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanimidamide
CID 77038573
N-[(1S)-1-(furan-2-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 8817714

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1R)-1-(furan-2-yl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanamide?
The IUPAC name of (2R)-N-[(1R)-1-(furan-2-yl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanamide (CID 39965551) is (2R)-N-[(1R)-1-(furan-2-yl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanamide.
What is the SMILES notation for (2R)-N-[(1R)-1-(furan-2-yl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanamide?
The canonical SMILES for (2R)-N-[(1R)-1-(furan-2-yl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanamide is COc1ccc(S(=O)(=O)N[C@@H](C(=O)N[C@H](C)c2ccco2)C(C)C)cc1.
What is the InChIKey of (2R)-N-[(1R)-1-(furan-2-yl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanamide?
The InChIKey is YUNLXCVJLLBMBO-CXAGYDPISA-N. The full InChI is InChI=1S/C18H24N2O5S/c1-12(2)17(18(21)19-13(3)16-6-5-11-25-16)20-26(22,23)15-9-7-14(24-4)8-10-15/h5-13,17,20H,1-4H3,(H,19,21)/t13-,17-/m1/s1.
What are the key properties of (2R)-N-[(1R)-1-(furan-2-yl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanamide?
(2R)-N-[(1R)-1-(furan-2-yl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanamide has a molecular weight of 380.47 g/mol, XLogP of 2.47, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1R)-1-(furan-2-yl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanamide is sourced from PubChem (CID 39965551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).