3-chloro-N-[(4-methylthiophen-3-yl)carbamoyl]propanamide

C9H11ClN2O2S — CID 130979130

IUPAC3-chloro-N-[(4-methylthiophen-3-yl)carbamoyl]propanamide
SMILESCc1cscc1NC(=O)NC(=O)CCCl
InChIInChI=1S/C9H11ClN2O2S/c1-6-4-15-5-7(6)11-9(14)12-8(13)2-3-10/h4-5H,2-3H2,1H3,(H2,11,12,13,14)
InChIKeyGOTUCQKGKZXFCO-UHFFFAOYSA-N
MW246.72 g/mol
LogP2.33
Rot. Bonds3

About 3-chloro-N-[(4-methylthiophen-3-yl)carbamoyl]propanamide

3-chloro-N-[(4-methylthiophen-3-yl)carbamoyl]propanamide (PubChem CID 130979130) has the molecular formula C9H11ClN2O2S and a molecular weight of 246.72 g/mol. Its IUPAC name is 3-chloro-N-[(4-methylthiophen-3-yl)carbamoyl]propanamide.

Molecular Properties

Compound Name3-chloro-N-[(4-methylthiophen-3-yl)carbamoyl]propanamide
PubChem CID130979130
Molecular FormulaC9H11ClN2O2S
Molecular Weight246.72 g/mol
Exact Mass246.02
IUPAC Name3-chloro-N-[(4-methylthiophen-3-yl)carbamoyl]propanamide
SMILESCc1cscc1NC(=O)NC(=O)CCCl
InChIInChI=1S/C9H11ClN2O2S/c1-6-4-15-5-7(6)11-9(14)12-8(13)2-3-10/h4-5H,2-3H2,1H3,(H2,11,12,13,14)
InChIKeyGOTUCQKGKZXFCO-UHFFFAOYSA-N
XLogP2.33
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.72
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

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3-chloro-N-(thiadiazol-5-ylcarbamoyl)propanamide
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3-chloro-N-[2-(2-methylphenyl)ethylcarbamoyl]propanamide
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3-chloro-N-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]propanamide
CID 65480576
3-chloro-N-[(4-chloro-2-iodophenyl)carbamoyl]propanamide
CID 107636900
2-amino-2-methyl-N-(4-methylthiophen-3-yl)butanamide
CID 131043496
N-methyl-2-[(4-methylthiophen-3-yl)amino]acetamide
CID 131043094
3-chloro-N-[(5-methylthiophen-2-yl)methylcarbamoyl]propanamide
CID 62057821
(4-methylthiophen-3-yl)thiourea
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CID 60933888

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(4-methylthiophen-3-yl)carbamoyl]propanamide?
The IUPAC name of 3-chloro-N-[(4-methylthiophen-3-yl)carbamoyl]propanamide (CID 130979130) is 3-chloro-N-[(4-methylthiophen-3-yl)carbamoyl]propanamide.
What is the SMILES notation for 3-chloro-N-[(4-methylthiophen-3-yl)carbamoyl]propanamide?
The canonical SMILES for 3-chloro-N-[(4-methylthiophen-3-yl)carbamoyl]propanamide is Cc1cscc1NC(=O)NC(=O)CCCl.
What is the InChIKey of 3-chloro-N-[(4-methylthiophen-3-yl)carbamoyl]propanamide?
The InChIKey is GOTUCQKGKZXFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2S/c1-6-4-15-5-7(6)11-9(14)12-8(13)2-3-10/h4-5H,2-3H2,1H3,(H2,11,12,13,14).
What are the key properties of 3-chloro-N-[(4-methylthiophen-3-yl)carbamoyl]propanamide?
3-chloro-N-[(4-methylthiophen-3-yl)carbamoyl]propanamide has a molecular weight of 246.72 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(4-methylthiophen-3-yl)carbamoyl]propanamide is sourced from PubChem (CID 130979130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).