(2R)-2-[3-(4-chlorophenyl)sulfonylpropanoylamino]-N-propylpropanamide

C15H21ClN2O4S — CID 8733253

IUPAC(2R)-2-[3-(4-chlorophenyl)sulfonylpropanoylamino]-N-propylpropanamide
SMILESCCCNC(=O)[C@@H](C)NC(=O)CCS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O4S/c1-3-9-17-15(20)11(2)18-14(19)8-10-23(21,22)13-6-4-12(16)5-7-13/h4-7,11H,3,8-10H2,1-2H3,(H,17,20)(H,18,19)/t11-/m1/s1
InChIKeyBTRWDFCOKYOPOA-LLVKDONJSA-N
MW360.86 g/mol
LogP1.53
Rot. Bonds8

About (2R)-2-[3-(4-chlorophenyl)sulfonylpropanoylamino]-N-propylpropanamide

(2R)-2-[3-(4-chlorophenyl)sulfonylpropanoylamino]-N-propylpropanamide (PubChem CID 8733253) has the molecular formula C15H21ClN2O4S and a molecular weight of 360.86 g/mol. Its IUPAC name is (2R)-2-[3-(4-chlorophenyl)sulfonylpropanoylamino]-N-propylpropanamide.

Molecular Properties

Compound Name(2R)-2-[3-(4-chlorophenyl)sulfonylpropanoylamino]-N-propylpropanamide
PubChem CID8733253
Molecular FormulaC15H21ClN2O4S
Molecular Weight360.86 g/mol
Exact Mass360.09
IUPAC Name(2R)-2-[3-(4-chlorophenyl)sulfonylpropanoylamino]-N-propylpropanamide
SMILESCCCNC(=O)[C@@H](C)NC(=O)CCS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O4S/c1-3-9-17-15(20)11(2)18-14(19)8-10-23(21,22)13-6-4-12(16)5-7-13/h4-7,11H,3,8-10H2,1-2H3,(H,17,20)(H,18,19)/t11-/m1/s1
InChIKeyBTRWDFCOKYOPOA-LLVKDONJSA-N
XLogP1.53
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.86
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 3554947
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CID 24816998
N-sec-Butyl-2-(4-chloro-phenylsulfanyl)-acetamide
CID 3139102
5-[(4-Chlorophenyl)sulfanylmethyl]-1,4-dihydropyrazine-2,3-dione
CID 166951790
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-cyclohexylacetamide
CID 803952
N-[(2S)-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]acetamide
CID 2106881
2-[(4-chlorophenyl)sulfonyl]-N-{2-[(4-chlorophenyl)sulfonyl]ethyl}acetamide
CID 2765488
N-{2-[(4-chlorophenyl)sulfonyl]ethyl}-2-(phenylsulfonyl)propanamide
CID 2765489
2-[(4-chlorophenyl)sulfonyl]-N-{2-[(4-chlorophenyl)sulfonyl]ethyl}propanamide
CID 2765498
2-[(4-chlorophenyl)sulfanyl]-N-ethylpropanamide
CID 2865304
N-{2-[(4-chlorophenyl)thio]ethyl}-2-(1-piperazinyl)acetamide hydrochloride
CID 2990458
1-(4-chlorophenyl)sulfonyl-N-(1,1-dioxothiolan-3-yl)piperidine-2-carboxamide
CID 2998565

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-(4-chlorophenyl)sulfonylpropanoylamino]-N-propylpropanamide?
The IUPAC name of (2R)-2-[3-(4-chlorophenyl)sulfonylpropanoylamino]-N-propylpropanamide (CID 8733253) is (2R)-2-[3-(4-chlorophenyl)sulfonylpropanoylamino]-N-propylpropanamide.
What is the SMILES notation for (2R)-2-[3-(4-chlorophenyl)sulfonylpropanoylamino]-N-propylpropanamide?
The canonical SMILES for (2R)-2-[3-(4-chlorophenyl)sulfonylpropanoylamino]-N-propylpropanamide is CCCNC(=O)[C@@H](C)NC(=O)CCS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of (2R)-2-[3-(4-chlorophenyl)sulfonylpropanoylamino]-N-propylpropanamide?
The InChIKey is BTRWDFCOKYOPOA-LLVKDONJSA-N. The full InChI is InChI=1S/C15H21ClN2O4S/c1-3-9-17-15(20)11(2)18-14(19)8-10-23(21,22)13-6-4-12(16)5-7-13/h4-7,11H,3,8-10H2,1-2H3,(H,17,20)(H,18,19)/t11-/m1/s1.
What are the key properties of (2R)-2-[3-(4-chlorophenyl)sulfonylpropanoylamino]-N-propylpropanamide?
(2R)-2-[3-(4-chlorophenyl)sulfonylpropanoylamino]-N-propylpropanamide has a molecular weight of 360.86 g/mol, XLogP of 1.53, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-(4-chlorophenyl)sulfonylpropanoylamino]-N-propylpropanamide is sourced from PubChem (CID 8733253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).