(2S)-N-carbamoyl-2-[(1R)-1-(4-chlorophenyl)ethyl]sulfanylpropanamide

C12H15ClN2O2S — CID 94217682

IUPAC(2S)-N-carbamoyl-2-[(1R)-1-(4-chlorophenyl)ethyl]sulfanylpropanamide
SMILESC[C@H](S[C@H](C)c1ccc(Cl)cc1)C(=O)NC(N)=O
InChIInChI=1S/C12H15ClN2O2S/c1-7(9-3-5-10(13)6-4-9)18-8(2)11(16)15-12(14)17/h3-8H,1-2H3,(H3,14,15,16,17)/t7-,8+/m1/s1
InChIKeyABFINHPDSLTIPP-SFYZADRCSA-N
MW286.78 g/mol
LogP2.72
Rot. Bonds4

About (2S)-N-carbamoyl-2-[(1R)-1-(4-chlorophenyl)ethyl]sulfanylpropanamide

(2S)-N-carbamoyl-2-[(1R)-1-(4-chlorophenyl)ethyl]sulfanylpropanamide (PubChem CID 94217682) has the molecular formula C12H15ClN2O2S and a molecular weight of 286.78 g/mol. Its IUPAC name is (2S)-N-carbamoyl-2-[(1R)-1-(4-chlorophenyl)ethyl]sulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-carbamoyl-2-[(1R)-1-(4-chlorophenyl)ethyl]sulfanylpropanamide
PubChem CID94217682
Molecular FormulaC12H15ClN2O2S
Molecular Weight286.78 g/mol
Exact Mass286.05
IUPAC Name(2S)-N-carbamoyl-2-[(1R)-1-(4-chlorophenyl)ethyl]sulfanylpropanamide
SMILESC[C@H](S[C@H](C)c1ccc(Cl)cc1)C(=O)NC(N)=O
InChIInChI=1S/C12H15ClN2O2S/c1-7(9-3-5-10(13)6-4-9)18-8(2)11(16)15-12(14)17/h3-8H,1-2H3,(H3,14,15,16,17)/t7-,8+/m1/s1
InChIKeyABFINHPDSLTIPP-SFYZADRCSA-N
XLogP2.72
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.78
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-carbamoyl-2-[(1R)-1-(4-fluorophenyl)ethyl]sulfanylpropanamide
CID 94217660
N-carbamoyl-2-(4-chlorophenyl)sulfanylpropanamide
CID 4003837
(2R)-2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-carbamoylpropanamide
CID 7170281
(2R)-N-carbamoyl-2-[(4-chlorophenyl)methylsulfanyl]-3-methylbutanamide
CID 8580236
[1-(carbamoylamino)-1-oxopropan-2-yl] 4-chlorobenzoate
CID 16540210
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-chlorobenzoate
CID 2629299
(2S)-N-carbamoyl-2-(2,5-difluorophenyl)sulfanylpropanamide
CID 8870554
(2S)-N-carbamoyl-2-[4-[(R)-(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]propanamide
CID 95187272
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-[(S)-(4-chlorophenyl)-phenylmethyl]sulfanylacetate
CID 7752701
N-carbamoyl-2-[4-(4-chlorobenzoyl)phenoxy]propanamide
CID 4815395
(2S)-2-(4-chlorophenyl)-N-methylpropanamide
CID 143748208
N-carbamoyl-2-[[2-(4-chlorophenyl)-1-phenylethyl]amino]propanamide
CID 47066635

Frequently Asked Questions

What is the IUPAC name of (2S)-N-carbamoyl-2-[(1R)-1-(4-chlorophenyl)ethyl]sulfanylpropanamide?
The IUPAC name of (2S)-N-carbamoyl-2-[(1R)-1-(4-chlorophenyl)ethyl]sulfanylpropanamide (CID 94217682) is (2S)-N-carbamoyl-2-[(1R)-1-(4-chlorophenyl)ethyl]sulfanylpropanamide.
What is the SMILES notation for (2S)-N-carbamoyl-2-[(1R)-1-(4-chlorophenyl)ethyl]sulfanylpropanamide?
The canonical SMILES for (2S)-N-carbamoyl-2-[(1R)-1-(4-chlorophenyl)ethyl]sulfanylpropanamide is C[C@H](S[C@H](C)c1ccc(Cl)cc1)C(=O)NC(N)=O.
What is the InChIKey of (2S)-N-carbamoyl-2-[(1R)-1-(4-chlorophenyl)ethyl]sulfanylpropanamide?
The InChIKey is ABFINHPDSLTIPP-SFYZADRCSA-N. The full InChI is InChI=1S/C12H15ClN2O2S/c1-7(9-3-5-10(13)6-4-9)18-8(2)11(16)15-12(14)17/h3-8H,1-2H3,(H3,14,15,16,17)/t7-,8+/m1/s1.
What are the key properties of (2S)-N-carbamoyl-2-[(1R)-1-(4-chlorophenyl)ethyl]sulfanylpropanamide?
(2S)-N-carbamoyl-2-[(1R)-1-(4-chlorophenyl)ethyl]sulfanylpropanamide has a molecular weight of 286.78 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-carbamoyl-2-[(1R)-1-(4-chlorophenyl)ethyl]sulfanylpropanamide is sourced from PubChem (CID 94217682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).