(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-(2,4,4-trimethylpentan-2-yl)propanamide

C17H27ClN2O3S — CID 55941880

IUPAC(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-(2,4,4-trimethylpentan-2-yl)propanamide
SMILESC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NC(C)(C)CC(C)(C)C
InChIInChI=1S/C17H27ClN2O3S/c1-12(15(21)19-17(5,6)11-16(2,3)4)20-24(22,23)14-9-7-13(18)8-10-14/h7-10,12,20H,11H2,1-6H3,(H,19,21)/t12-/m0/s1
InChIKeyQXBYWGNBNGJCPM-LBPRGKRZSA-N
MW374.93 g/mol
LogP3.34
Rot. Bonds6

About (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-(2,4,4-trimethylpentan-2-yl)propanamide

(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-(2,4,4-trimethylpentan-2-yl)propanamide (PubChem CID 55941880) has the molecular formula C17H27ClN2O3S and a molecular weight of 374.93 g/mol. Its IUPAC name is (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-(2,4,4-trimethylpentan-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-(2,4,4-trimethylpentan-2-yl)propanamide
PubChem CID55941880
Molecular FormulaC17H27ClN2O3S
Molecular Weight374.93 g/mol
Exact Mass374.14
IUPAC Name(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-(2,4,4-trimethylpentan-2-yl)propanamide
SMILESC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NC(C)(C)CC(C)(C)C
InChIInChI=1S/C17H27ClN2O3S/c1-12(15(21)19-17(5,6)11-16(2,3)4)20-24(22,23)14-9-7-13(18)8-10-14/h7-10,12,20H,11H2,1-6H3,(H,19,21)/t12-/m0/s1
InChIKeyQXBYWGNBNGJCPM-LBPRGKRZSA-N
XLogP3.34
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.93
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2-cyclopropylpropan-2-yl)-2-[(4-chlorophenyl)sulfonylamino]propanamide;hydrochloride
CID 119574204
N-(2-aminoethyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 119383880
4-[[(2S)-2-[(4-chlorophenyl)sulfonylamino]propanoyl]amino]-N-(2-methylbutan-2-yl)benzamide
CID 55990856
3-[2-[(4-chlorophenyl)sulfonylamino]propanoylamino]-2-methylpropanoic acid
CID 119237146
2-[(4-chlorophenyl)sulfonylamino]-N-phenylpropanamide
CID 50740302
(2S)-N-(4-acetamidophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 2100165
2-[(4-chlorophenyl)sulfonylamino]-N-[2-(ethylamino)ethyl]propanamide
CID 119507175
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-cycloheptylpropanamide
CID 51122843
(2S)-N-tert-butyl-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 40563910
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate
CID 26236779
(2S)-N-(2-bromoprop-2-enyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 47439175
(2S)-N-(4-chlorophenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 9068716

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-(2,4,4-trimethylpentan-2-yl)propanamide?
The IUPAC name of (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-(2,4,4-trimethylpentan-2-yl)propanamide (CID 55941880) is (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-(2,4,4-trimethylpentan-2-yl)propanamide.
What is the SMILES notation for (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-(2,4,4-trimethylpentan-2-yl)propanamide?
The canonical SMILES for (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-(2,4,4-trimethylpentan-2-yl)propanamide is C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NC(C)(C)CC(C)(C)C.
What is the InChIKey of (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-(2,4,4-trimethylpentan-2-yl)propanamide?
The InChIKey is QXBYWGNBNGJCPM-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H27ClN2O3S/c1-12(15(21)19-17(5,6)11-16(2,3)4)20-24(22,23)14-9-7-13(18)8-10-14/h7-10,12,20H,11H2,1-6H3,(H,19,21)/t12-/m0/s1.
What are the key properties of (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-(2,4,4-trimethylpentan-2-yl)propanamide?
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-(2,4,4-trimethylpentan-2-yl)propanamide has a molecular weight of 374.93 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-(2,4,4-trimethylpentan-2-yl)propanamide is sourced from PubChem (CID 55941880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).