(2S)-2-(benzenesulfonamido)-N-[(3S)-2-hydroxyoxan-3-yl]-4-methylpentanamide

C17H26N2O5S — CID 139726517

IUPAC(2S)-2-(benzenesulfonamido)-N-[(3S)-2-hydroxyoxan-3-yl]-4-methylpentanamide
SMILESCC(C)C[C@H](NS(=O)(=O)c1ccccc1)C(=O)N[C@H]1CCCOC1O
InChIInChI=1S/C17H26N2O5S/c1-12(2)11-15(16(20)18-14-9-6-10-24-17(14)21)19-25(22,23)13-7-4-3-5-8-13/h3-5,7-8,12,14-15,17,19,21H,6,9-11H2,1-2H3,(H,18,20)/t14-,15-,17?/m0/s1
InChIKeyXPNGWWKYUKVHPB-GIIGEWEBSA-N
MW370.47 g/mol
LogP0.99
Rot. Bonds7

About (2S)-2-(benzenesulfonamido)-N-[(3S)-2-hydroxyoxan-3-yl]-4-methylpentanamide

(2S)-2-(benzenesulfonamido)-N-[(3S)-2-hydroxyoxan-3-yl]-4-methylpentanamide (PubChem CID 139726517) has the molecular formula C17H26N2O5S and a molecular weight of 370.47 g/mol. Its IUPAC name is (2S)-2-(benzenesulfonamido)-N-[(3S)-2-hydroxyoxan-3-yl]-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-(benzenesulfonamido)-N-[(3S)-2-hydroxyoxan-3-yl]-4-methylpentanamide
PubChem CID139726517
Molecular FormulaC17H26N2O5S
Molecular Weight370.47 g/mol
Exact Mass370.16
IUPAC Name(2S)-2-(benzenesulfonamido)-N-[(3S)-2-hydroxyoxan-3-yl]-4-methylpentanamide
SMILESCC(C)C[C@H](NS(=O)(=O)c1ccccc1)C(=O)N[C@H]1CCCOC1O
InChIInChI=1S/C17H26N2O5S/c1-12(2)11-15(16(20)18-14-9-6-10-24-17(14)21)19-25(22,23)13-7-4-3-5-8-13/h3-5,7-8,12,14-15,17,19,21H,6,9-11H2,1-2H3,(H,18,20)/t14-,15-,17?/m0/s1
InChIKeyXPNGWWKYUKVHPB-GIIGEWEBSA-N
XLogP0.99
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-tert-butylphenyl)sulfonylamino]-N-[(3S)-2-hydroxyoxolan-3-yl]-4-methylpentanamide
CID 67698595
N-(2-hydroxyoxolan-3-yl)-4-methyl-2-[(3-nitrophenyl)sulfonylamino]pentanamide
CID 22444842
2-(benzenesulfonamido)-4-methyl-N-(2-oxooxolan-3-yl)pentanamide
CID 22444783
N-[(2S)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]benzamide
CID 54417217
N-[1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]benzamide
CID 67698271
(2S)-N-[(2S,3S)-2-acetyloxolan-3-yl]-2-[(4-tert-butylphenyl)sulfonylamino]-4-methylpentanamide
CID 67698886
N-(2-hydroxyoxolan-3-yl)-4-methyl-2-(phenylcarbamothioylamino)pentanamide
CID 23062313
2-(benzenesulfonamido)-N-(7-hydroxy-6-oxo-5,13,14-triazabicyclo[8.3.1]tetradeca-1(13),10(14),11-trien-8-yl)-4-methylpentanamide
CID 138731109
4-chloro-N-[1-[(2-hydroxyoxolan-3-yl)amino]-4-methyl-1-oxopentan-2-yl]benzamide
CID 22444822
N-[(3S)-2-hydroxyoxolan-3-yl]-4-methyl-2-[(2-naphthalen-1-ylacetyl)amino]pentanamide
CID 67699186
N-[1-(3,4-dioxo-1,5-oxazonan-2-yl)-5-methyl-2-oxohexan-3-yl]benzenesulfonamide
CID 158405748
N-[1-(3,4-dioxo-1-oxa-5-azacyclododec-2-yl)-5-methyl-2-oxohexan-3-yl]benzenesulfonamide
CID 160991586

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(benzenesulfonamido)-N-[(3S)-2-hydroxyoxan-3-yl]-4-methylpentanamide?
The IUPAC name of (2S)-2-(benzenesulfonamido)-N-[(3S)-2-hydroxyoxan-3-yl]-4-methylpentanamide (CID 139726517) is (2S)-2-(benzenesulfonamido)-N-[(3S)-2-hydroxyoxan-3-yl]-4-methylpentanamide.
What is the SMILES notation for (2S)-2-(benzenesulfonamido)-N-[(3S)-2-hydroxyoxan-3-yl]-4-methylpentanamide?
The canonical SMILES for (2S)-2-(benzenesulfonamido)-N-[(3S)-2-hydroxyoxan-3-yl]-4-methylpentanamide is CC(C)C[C@H](NS(=O)(=O)c1ccccc1)C(=O)N[C@H]1CCCOC1O.
What is the InChIKey of (2S)-2-(benzenesulfonamido)-N-[(3S)-2-hydroxyoxan-3-yl]-4-methylpentanamide?
The InChIKey is XPNGWWKYUKVHPB-GIIGEWEBSA-N. The full InChI is InChI=1S/C17H26N2O5S/c1-12(2)11-15(16(20)18-14-9-6-10-24-17(14)21)19-25(22,23)13-7-4-3-5-8-13/h3-5,7-8,12,14-15,17,19,21H,6,9-11H2,1-2H3,(H,18,20)/t14-,15-,17?/m0/s1.
What are the key properties of (2S)-2-(benzenesulfonamido)-N-[(3S)-2-hydroxyoxan-3-yl]-4-methylpentanamide?
(2S)-2-(benzenesulfonamido)-N-[(3S)-2-hydroxyoxan-3-yl]-4-methylpentanamide has a molecular weight of 370.47 g/mol, XLogP of 0.99, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(benzenesulfonamido)-N-[(3S)-2-hydroxyoxan-3-yl]-4-methylpentanamide is sourced from PubChem (CID 139726517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).