N-carbamoyl-2-(4-chlorophenyl)sulfanylpropanamide

C10H11ClN2O2S — CID 4003837

IUPACN-carbamoyl-2-(4-chlorophenyl)sulfanylpropanamide
SMILESCC(Sc1ccc(Cl)cc1)C(=O)NC(N)=O
InChIInChI=1S/C10H11ClN2O2S/c1-6(9(14)13-10(12)15)16-8-4-2-7(11)3-5-8/h2-6H,1H3,(H3,12,13,14,15)
InChIKeyBQBSLZXOTOVVTD-UHFFFAOYSA-N
MW258.73 g/mol
LogP2.02
Rot. Bonds3

About N-carbamoyl-2-(4-chlorophenyl)sulfanylpropanamide

N-carbamoyl-2-(4-chlorophenyl)sulfanylpropanamide (PubChem CID 4003837) has the molecular formula C10H11ClN2O2S and a molecular weight of 258.73 g/mol. Its IUPAC name is N-carbamoyl-2-(4-chlorophenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-carbamoyl-2-(4-chlorophenyl)sulfanylpropanamide
PubChem CID4003837
Molecular FormulaC10H11ClN2O2S
Molecular Weight258.73 g/mol
Exact Mass258.02
IUPAC NameN-carbamoyl-2-(4-chlorophenyl)sulfanylpropanamide
SMILESCC(Sc1ccc(Cl)cc1)C(=O)NC(N)=O
InChIInChI=1S/C10H11ClN2O2S/c1-6(9(14)13-10(12)15)16-8-4-2-7(11)3-5-8/h2-6H,1H3,(H3,12,13,14,15)
InChIKeyBQBSLZXOTOVVTD-UHFFFAOYSA-N
XLogP2.02
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.73
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)sulfanyl-N-methoxypropanamide
CID 60701143
(2S)-N-carbamoyl-2-[(1R)-1-(4-chlorophenyl)ethyl]sulfanylpropanamide
CID 94217682
(2S)-N-carbamoyl-2-naphthalen-2-ylsulfanylpropanamide
CID 2500778
2-(4-chlorophenyl)sulfanyl-N-(phenylcarbamoyl)propanamide
CID 24569378
(2R)-2-(4-chlorophenyl)sulfanyl-N-cyclopropylpropanamide
CID 883001
2-[2-(4-chlorophenyl)sulfanylpropanoylamino]-2-cyclopropylacetic acid
CID 62695742
N-(2-aminophenyl)-2-(4-chlorophenyl)sulfanylpropanamide
CID 43105108
2-(4-chlorophenyl)sulfanyl-N-(2-methoxyethoxy)propanamide
CID 79676327
(2R)-2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-carbamoylpropanamide
CID 7170281
2-[[(2S)-2-(4-chlorophenyl)sulfanylpropanoyl]amino]benzamide
CID 1257684
(2S)-N-carbamoyl-2-(2,5-difluorophenyl)sulfanylpropanamide
CID 8870554
N-carbamoyl-2-(3-methylphenyl)sulfanylpropanamide
CID 47449269

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-(4-chlorophenyl)sulfanylpropanamide?
The IUPAC name of N-carbamoyl-2-(4-chlorophenyl)sulfanylpropanamide (CID 4003837) is N-carbamoyl-2-(4-chlorophenyl)sulfanylpropanamide.
What is the SMILES notation for N-carbamoyl-2-(4-chlorophenyl)sulfanylpropanamide?
The canonical SMILES for N-carbamoyl-2-(4-chlorophenyl)sulfanylpropanamide is CC(Sc1ccc(Cl)cc1)C(=O)NC(N)=O.
What is the InChIKey of N-carbamoyl-2-(4-chlorophenyl)sulfanylpropanamide?
The InChIKey is BQBSLZXOTOVVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2S/c1-6(9(14)13-10(12)15)16-8-4-2-7(11)3-5-8/h2-6H,1H3,(H3,12,13,14,15).
What are the key properties of N-carbamoyl-2-(4-chlorophenyl)sulfanylpropanamide?
N-carbamoyl-2-(4-chlorophenyl)sulfanylpropanamide has a molecular weight of 258.73 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-(4-chlorophenyl)sulfanylpropanamide is sourced from PubChem (CID 4003837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).