(2S)-N-benzyl-2-[(4-tert-butylphenyl)sulfonylamino]propanamide

C20H26N2O3S — CID 9041047

IUPAC(2S)-N-benzyl-2-[(4-tert-butylphenyl)sulfonylamino]propanamide
SMILESC[C@H](NS(=O)(=O)c1ccc(C(C)(C)C)cc1)C(=O)NCc1ccccc1
InChIInChI=1S/C20H26N2O3S/c1-15(19(23)21-14-16-8-6-5-7-9-16)22-26(24,25)18-12-10-17(11-13-18)20(2,3)4/h5-13,15,22H,14H2,1-4H3,(H,21,23)/t15-/m0/s1
InChIKeyXEJUFAPQZPLRBT-HNNXBMFYSA-N
MW374.51 g/mol
LogP2.97
Rot. Bonds6

About (2S)-N-benzyl-2-[(4-tert-butylphenyl)sulfonylamino]propanamide

(2S)-N-benzyl-2-[(4-tert-butylphenyl)sulfonylamino]propanamide (PubChem CID 9041047) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is (2S)-N-benzyl-2-[(4-tert-butylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound Name(2S)-N-benzyl-2-[(4-tert-butylphenyl)sulfonylamino]propanamide
PubChem CID9041047
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Name(2S)-N-benzyl-2-[(4-tert-butylphenyl)sulfonylamino]propanamide
SMILESC[C@H](NS(=O)(=O)c1ccc(C(C)(C)C)cc1)C(=O)NCc1ccccc1
InChIInChI=1S/C20H26N2O3S/c1-15(19(23)21-14-16-8-6-5-7-9-16)22-26(24,25)18-12-10-17(11-13-18)20(2,3)4/h5-13,15,22H,14H2,1-4H3,(H,21,23)/t15-/m0/s1
InChIKeyXEJUFAPQZPLRBT-HNNXBMFYSA-N
XLogP2.97
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(4-tert-butylphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]propanamide
CID 9208122
N-benzyl-2-(4-tert-butylanilino)propanamide
CID 134062813
(2S)-2-[(4-methylphenyl)sulfonylamino]-N-[[3-[[[(2S)-2-[(4-methylphenyl)sulfonylamino]propanoyl]amino]methyl]phenyl]methyl]propanamide
CID 23246044
(2S)-2-[(4-tert-butylphenyl)sulfonylamino]-3-phenylpropanoic acid
CID 1190229
(2S)-2-(benzenesulfonamido)-N-(2-phenylethyl)propanamide
CID 41330945
(2S)-N-(2,2-diphenylpropyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 24517481
2-[(4-tert-butylphenyl)sulfonylamino]-N-(cyanomethyl)-3-phenylpropanamide
CID 87927710
(2S)-2-(benzenesulfonamido)-N-[[3-(dimethylamino)phenyl]methyl]propanamide
CID 60608615
N-benzyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanamide
CID 42909960
methyl 2-[(4-tert-butylphenyl)sulfonylamino]-3-phenylpropanoate
CID 3837922
N-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 2947130
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide
CID 27256778

Frequently Asked Questions

What is the IUPAC name of (2S)-N-benzyl-2-[(4-tert-butylphenyl)sulfonylamino]propanamide?
The IUPAC name of (2S)-N-benzyl-2-[(4-tert-butylphenyl)sulfonylamino]propanamide (CID 9041047) is (2S)-N-benzyl-2-[(4-tert-butylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for (2S)-N-benzyl-2-[(4-tert-butylphenyl)sulfonylamino]propanamide?
The canonical SMILES for (2S)-N-benzyl-2-[(4-tert-butylphenyl)sulfonylamino]propanamide is C[C@H](NS(=O)(=O)c1ccc(C(C)(C)C)cc1)C(=O)NCc1ccccc1.
What is the InChIKey of (2S)-N-benzyl-2-[(4-tert-butylphenyl)sulfonylamino]propanamide?
The InChIKey is XEJUFAPQZPLRBT-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-15(19(23)21-14-16-8-6-5-7-9-16)22-26(24,25)18-12-10-17(11-13-18)20(2,3)4/h5-13,15,22H,14H2,1-4H3,(H,21,23)/t15-/m0/s1.
What are the key properties of (2S)-N-benzyl-2-[(4-tert-butylphenyl)sulfonylamino]propanamide?
(2S)-N-benzyl-2-[(4-tert-butylphenyl)sulfonylamino]propanamide has a molecular weight of 374.51 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-benzyl-2-[(4-tert-butylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 9041047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).