(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)propanamide

C18H21N3O4S2 — CID 24536242

IUPAC(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)propanamide
SMILESCSc1cccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(NC(C)=O)cc2)c1
InChIInChI=1S/C18H21N3O4S2/c1-12(18(23)20-15-5-4-6-16(11-15)26-3)21-27(24,25)17-9-7-14(8-10-17)19-13(2)22/h4-12,21H,1-3H3,(H,19,22)(H,20,23)/t12-/m0/s1
InChIKeyCSLPXGQYVAWAPD-LBPRGKRZSA-N
MW407.52 g/mol
LogP2.67
Rot. Bonds7

About (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)propanamide

(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)propanamide (PubChem CID 24536242) has the molecular formula C18H21N3O4S2 and a molecular weight of 407.52 g/mol. Its IUPAC name is (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)propanamide
PubChem CID24536242
Molecular FormulaC18H21N3O4S2
Molecular Weight407.52 g/mol
Exact Mass407.10
IUPAC Name(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)propanamide
SMILESCSc1cccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(NC(C)=O)cc2)c1
InChIInChI=1S/C18H21N3O4S2/c1-12(18(23)20-15-5-4-6-16(11-15)26-3)21-27(24,25)17-9-7-14(8-10-17)19-13(2)22/h4-12,21H,1-3H3,(H,19,22)(H,20,23)/t12-/m0/s1
InChIKeyCSLPXGQYVAWAPD-LBPRGKRZSA-N
XLogP2.67
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(benzenesulfonamido)-N-(3-methylsulfanylphenyl)propanamide
CID 1254729
(2S)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)propanamide
CID 126394180
N-(4-acetamidophenyl)-2-(benzenesulfonamido)propanamide
CID 4240198
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(3-fluoro-4-methylphenyl)propanamide
CID 24537324
N-(4-acetamidophenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 5125131
(2S)-N-(4-acetamidophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 2100165
2-(carbamoylamino)-N-(3-methylsulfanylphenyl)propanamide
CID 74646045
2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)propanamide
CID 43890648
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(4-ethylphenyl)propanamide
CID 24537281
(2S)-2-(benzenesulfonamido)-N-phenylpropanamide
CID 41330853
(2S)-N-(3-bromophenyl)-2-[(4-bromophenyl)sulfonylamino]propanamide
CID 41330687
2-[(4-acetamidophenyl)sulfonylamino]propanoic acid
CID 3393223

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)propanamide?
The IUPAC name of (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)propanamide (CID 24536242) is (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)propanamide.
What is the SMILES notation for (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)propanamide?
The canonical SMILES for (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)propanamide is CSc1cccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(NC(C)=O)cc2)c1.
What is the InChIKey of (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)propanamide?
The InChIKey is CSLPXGQYVAWAPD-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H21N3O4S2/c1-12(18(23)20-15-5-4-6-16(11-15)26-3)21-27(24,25)17-9-7-14(8-10-17)19-13(2)22/h4-12,21H,1-3H3,(H,19,22)(H,20,23)/t12-/m0/s1.
What are the key properties of (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)propanamide?
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)propanamide has a molecular weight of 407.52 g/mol, XLogP of 2.67, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)propanamide is sourced from PubChem (CID 24536242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).