2-[(4-tert-butylphenyl)sulfonylamino]-N-[(3S)-2-hydroxyoxolan-3-yl]-4-methylpentanamide

C20H32N2O5S — CID 67698595

IUPAC2-[(4-tert-butylphenyl)sulfonylamino]-N-[(3S)-2-hydroxyoxolan-3-yl]-4-methylpentanamide
SMILESCC(C)CC(NS(=O)(=O)c1ccc(C(C)(C)C)cc1)C(=O)N[C@H]1CCOC1O
InChIInChI=1S/C20H32N2O5S/c1-13(2)12-17(18(23)21-16-10-11-27-19(16)24)22-28(25,26)15-8-6-14(7-9-15)20(3,4)5/h6-9,13,16-17,19,22,24H,10-12H2,1-5H3,(H,21,23)/t16-,17?,19?/m0/s1
InChIKeyAXORBXMKKLOTJJ-MUYFXNHWSA-N
MW412.55 g/mol
LogP1.90
Rot. Bonds7

About 2-[(4-tert-butylphenyl)sulfonylamino]-N-[(3S)-2-hydroxyoxolan-3-yl]-4-methylpentanamide

2-[(4-tert-butylphenyl)sulfonylamino]-N-[(3S)-2-hydroxyoxolan-3-yl]-4-methylpentanamide (PubChem CID 67698595) has the molecular formula C20H32N2O5S and a molecular weight of 412.55 g/mol. Its IUPAC name is 2-[(4-tert-butylphenyl)sulfonylamino]-N-[(3S)-2-hydroxyoxolan-3-yl]-4-methylpentanamide.

Molecular Properties

Compound Name2-[(4-tert-butylphenyl)sulfonylamino]-N-[(3S)-2-hydroxyoxolan-3-yl]-4-methylpentanamide
PubChem CID67698595
Molecular FormulaC20H32N2O5S
Molecular Weight412.55 g/mol
Exact Mass412.20
IUPAC Name2-[(4-tert-butylphenyl)sulfonylamino]-N-[(3S)-2-hydroxyoxolan-3-yl]-4-methylpentanamide
SMILESCC(C)CC(NS(=O)(=O)c1ccc(C(C)(C)C)cc1)C(=O)N[C@H]1CCOC1O
InChIInChI=1S/C20H32N2O5S/c1-13(2)12-17(18(23)21-16-10-11-27-19(16)24)22-28(25,26)15-8-6-14(7-9-15)20(3,4)5/h6-9,13,16-17,19,22,24H,10-12H2,1-5H3,(H,21,23)/t16-,17?,19?/m0/s1
InChIKeyAXORBXMKKLOTJJ-MUYFXNHWSA-N
XLogP1.90
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.55
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[(2S,3S)-2-acetyloxolan-3-yl]-2-[(4-tert-butylphenyl)sulfonylamino]-4-methylpentanamide
CID 67698886
(2S)-2-(benzenesulfonamido)-N-[(3S)-2-hydroxyoxan-3-yl]-4-methylpentanamide
CID 139726517
N-(2-hydroxyoxolan-3-yl)-4-methyl-2-[(3-nitrophenyl)sulfonylamino]pentanamide
CID 22444842
N-[1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]benzamide
CID 67698271
4-tert-butyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzenesulfonamide
CID 110351459
4-chloro-N-[1-[(2-hydroxyoxolan-3-yl)amino]-4-methyl-1-oxopentan-2-yl]benzamide
CID 22444822
2-[(4-tert-butylphenyl)sulfonylamino]-N-cyclohexyl-3-hydroxypropanamide
CID 5122714
2-(benzenesulfonamido)-4-methyl-N-(2-oxooxolan-3-yl)pentanamide
CID 22444783
N-(2-hydroxyoxolan-3-yl)-4-methyl-2-(phenylcarbamothioylamino)pentanamide
CID 23062313
(2R)-N-(1-ethylpiperidin-4-yl)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 30768113
cyclohexyl N-[1-[(2-hydroxyoxolan-3-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 22444801
(2S)-N-[(3aS,4R,6aR)-2-[4-(trifluoromethyl)phenyl]sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-4-methyl-2-(methylamino)pentanamide
CID 66591036

Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butylphenyl)sulfonylamino]-N-[(3S)-2-hydroxyoxolan-3-yl]-4-methylpentanamide?
The IUPAC name of 2-[(4-tert-butylphenyl)sulfonylamino]-N-[(3S)-2-hydroxyoxolan-3-yl]-4-methylpentanamide (CID 67698595) is 2-[(4-tert-butylphenyl)sulfonylamino]-N-[(3S)-2-hydroxyoxolan-3-yl]-4-methylpentanamide.
What is the SMILES notation for 2-[(4-tert-butylphenyl)sulfonylamino]-N-[(3S)-2-hydroxyoxolan-3-yl]-4-methylpentanamide?
The canonical SMILES for 2-[(4-tert-butylphenyl)sulfonylamino]-N-[(3S)-2-hydroxyoxolan-3-yl]-4-methylpentanamide is CC(C)CC(NS(=O)(=O)c1ccc(C(C)(C)C)cc1)C(=O)N[C@H]1CCOC1O.
What is the InChIKey of 2-[(4-tert-butylphenyl)sulfonylamino]-N-[(3S)-2-hydroxyoxolan-3-yl]-4-methylpentanamide?
The InChIKey is AXORBXMKKLOTJJ-MUYFXNHWSA-N. The full InChI is InChI=1S/C20H32N2O5S/c1-13(2)12-17(18(23)21-16-10-11-27-19(16)24)22-28(25,26)15-8-6-14(7-9-15)20(3,4)5/h6-9,13,16-17,19,22,24H,10-12H2,1-5H3,(H,21,23)/t16-,17?,19?/m0/s1.
What are the key properties of 2-[(4-tert-butylphenyl)sulfonylamino]-N-[(3S)-2-hydroxyoxolan-3-yl]-4-methylpentanamide?
2-[(4-tert-butylphenyl)sulfonylamino]-N-[(3S)-2-hydroxyoxolan-3-yl]-4-methylpentanamide has a molecular weight of 412.55 g/mol, XLogP of 1.90, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butylphenyl)sulfonylamino]-N-[(3S)-2-hydroxyoxolan-3-yl]-4-methylpentanamide is sourced from PubChem (CID 67698595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).