(2S)-2-[(4-methylphenyl)sulfonylcarbamoylamino]-N-propylpropanamide

C14H21N3O4S — CID 9452306

IUPAC(2S)-2-[(4-methylphenyl)sulfonylcarbamoylamino]-N-propylpropanamide
SMILESCCCNC(=O)[C@H](C)NC(=O)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C14H21N3O4S/c1-4-9-15-13(18)11(3)16-14(19)17-22(20,21)12-7-5-10(2)6-8-12/h5-8,11H,4,9H2,1-3H3,(H,15,18)(H2,16,17,19)/t11-/m0/s1
InChIKeySSXAXKBCEUNNJP-NSHDSACASA-N
MW327.41 g/mol
LogP0.90
Rot. Bonds6

About (2S)-2-[(4-methylphenyl)sulfonylcarbamoylamino]-N-propylpropanamide

(2S)-2-[(4-methylphenyl)sulfonylcarbamoylamino]-N-propylpropanamide (PubChem CID 9452306) has the molecular formula C14H21N3O4S and a molecular weight of 327.41 g/mol. Its IUPAC name is (2S)-2-[(4-methylphenyl)sulfonylcarbamoylamino]-N-propylpropanamide.

Molecular Properties

Compound Name(2S)-2-[(4-methylphenyl)sulfonylcarbamoylamino]-N-propylpropanamide
PubChem CID9452306
Molecular FormulaC14H21N3O4S
Molecular Weight327.41 g/mol
Exact Mass327.13
IUPAC Name(2S)-2-[(4-methylphenyl)sulfonylcarbamoylamino]-N-propylpropanamide
SMILESCCCNC(=O)[C@H](C)NC(=O)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C14H21N3O4S/c1-4-9-15-13(18)11(3)16-14(19)17-22(20,21)12-7-5-10(2)6-8-12/h5-8,11H,4,9H2,1-3H3,(H,15,18)(H2,16,17,19)/t11-/m0/s1
InChIKeySSXAXKBCEUNNJP-NSHDSACASA-N
XLogP0.90
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methylphenyl)sulfonylamino]-N-propylpropanamide
CID 5039910
(2S)-2-[(4-methylphenyl)sulfonylcarbamoylamino]propanoic acid
CID 36691003
zinc 1-butyl-3-(4-methylphenyl)sulfonylurea
CID 54606239
2-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]-N-propylpropanamide
CID 46820287
1-(4-methylphenyl)sulfonyl-3-tetradecylurea
CID 21459633
(2R)-N-hexyl-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 7230015
4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-propylpentanamide
CID 18104806
(2S)-2-[(4-methylphenyl)sulfonylamino]-N-[4-[[(2S)-2-[(4-methylphenyl)sulfonylamino]propanoyl]amino]butyl]propanamide
CID 23246042
2-[(2,5-dimethylphenyl)carbamoylamino]-N-propylpropanamide
CID 47133143
1-(4-methylphenyl)sulfonyl-3-[1-[(4-methylphenyl)sulfonylcarbamoylamino]-2-oxohexadecyl]urea
CID 23176150
(2R)-2-[(4-methylphenyl)sulfonylamino]-N,N'-dipropylpentanediamide
CID 7126519
1-(4-aminophenyl)sulfonyl-3-propylurea
CID 71447062

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-methylphenyl)sulfonylcarbamoylamino]-N-propylpropanamide?
The IUPAC name of (2S)-2-[(4-methylphenyl)sulfonylcarbamoylamino]-N-propylpropanamide (CID 9452306) is (2S)-2-[(4-methylphenyl)sulfonylcarbamoylamino]-N-propylpropanamide.
What is the SMILES notation for (2S)-2-[(4-methylphenyl)sulfonylcarbamoylamino]-N-propylpropanamide?
The canonical SMILES for (2S)-2-[(4-methylphenyl)sulfonylcarbamoylamino]-N-propylpropanamide is CCCNC(=O)[C@H](C)NC(=O)NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of (2S)-2-[(4-methylphenyl)sulfonylcarbamoylamino]-N-propylpropanamide?
The InChIKey is SSXAXKBCEUNNJP-NSHDSACASA-N. The full InChI is InChI=1S/C14H21N3O4S/c1-4-9-15-13(18)11(3)16-14(19)17-22(20,21)12-7-5-10(2)6-8-12/h5-8,11H,4,9H2,1-3H3,(H,15,18)(H2,16,17,19)/t11-/m0/s1.
What are the key properties of (2S)-2-[(4-methylphenyl)sulfonylcarbamoylamino]-N-propylpropanamide?
(2S)-2-[(4-methylphenyl)sulfonylcarbamoylamino]-N-propylpropanamide has a molecular weight of 327.41 g/mol, XLogP of 0.90, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-methylphenyl)sulfonylcarbamoylamino]-N-propylpropanamide is sourced from PubChem (CID 9452306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).