3-chloro-N-[(5-methylthiophen-2-yl)methylcarbamoyl]propanamide

C10H13ClN2O2S — CID 62057821

IUPAC3-chloro-N-[(5-methylthiophen-2-yl)methylcarbamoyl]propanamide
SMILESCc1ccc(CNC(=O)NC(=O)CCCl)s1
InChIInChI=1S/C10H13ClN2O2S/c1-7-2-3-8(16-7)6-12-10(15)13-9(14)4-5-11/h2-3H,4-6H2,1H3,(H2,12,13,14,15)
InChIKeyWCNLCZCEJUMUJJ-UHFFFAOYSA-N
MW260.75 g/mol
LogP2.01
Rot. Bonds4

About 3-chloro-N-[(5-methylthiophen-2-yl)methylcarbamoyl]propanamide

3-chloro-N-[(5-methylthiophen-2-yl)methylcarbamoyl]propanamide (PubChem CID 62057821) has the molecular formula C10H13ClN2O2S and a molecular weight of 260.75 g/mol. Its IUPAC name is 3-chloro-N-[(5-methylthiophen-2-yl)methylcarbamoyl]propanamide.

Molecular Properties

Compound Name3-chloro-N-[(5-methylthiophen-2-yl)methylcarbamoyl]propanamide
PubChem CID62057821
Molecular FormulaC10H13ClN2O2S
Molecular Weight260.75 g/mol
Exact Mass260.04
IUPAC Name3-chloro-N-[(5-methylthiophen-2-yl)methylcarbamoyl]propanamide
SMILESCc1ccc(CNC(=O)NC(=O)CCCl)s1
InChIInChI=1S/C10H13ClN2O2S/c1-7-2-3-8(16-7)6-12-10(15)13-9(14)4-5-11/h2-3H,4-6H2,1H3,(H2,12,13,14,15)
InChIKeyWCNLCZCEJUMUJJ-UHFFFAOYSA-N
XLogP2.01
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.75
LogP ≤ 52.01
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

4-[(5-methylthiophen-2-yl)methylcarbamoylamino]-4-oxobutanoic acid
CID 62056901
2-hydroxy-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 130685032
methyl 4-[(5-methylthiophen-2-yl)methylamino]-4-oxobutanoate
CID 110733948
3-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]propanamide
CID 106375343
2-methoxy-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 60776039
3-methyl-N-[(5-methylthiophen-2-yl)methyl]butanamide
CID 110733947
N-[(5-methylthiophen-2-yl)methyl]-3-(propan-2-ylamino)propanamide
CID 62058099
7-amino-N-[(5-methylthiophen-2-yl)methyl]heptanamide
CID 55029800
6-amino-N-[(5-methylthiophen-2-yl)methyl]hexanamide
CID 62058651
1-(2-hydroxy-3,3-dimethylbutyl)-3-[(5-methylthiophen-2-yl)methyl]urea
CID 111337985
(2S)-3-methyl-2-[(5-methylthiophen-2-yl)methylcarbamoylamino]butanoic acid
CID 55029485
(2R)-3-hydroxy-2-[(5-methylthiophen-2-yl)methylcarbamoylamino]propanoic acid
CID 80756878

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(5-methylthiophen-2-yl)methylcarbamoyl]propanamide?
The IUPAC name of 3-chloro-N-[(5-methylthiophen-2-yl)methylcarbamoyl]propanamide (CID 62057821) is 3-chloro-N-[(5-methylthiophen-2-yl)methylcarbamoyl]propanamide.
What is the SMILES notation for 3-chloro-N-[(5-methylthiophen-2-yl)methylcarbamoyl]propanamide?
The canonical SMILES for 3-chloro-N-[(5-methylthiophen-2-yl)methylcarbamoyl]propanamide is Cc1ccc(CNC(=O)NC(=O)CCCl)s1.
What is the InChIKey of 3-chloro-N-[(5-methylthiophen-2-yl)methylcarbamoyl]propanamide?
The InChIKey is WCNLCZCEJUMUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2S/c1-7-2-3-8(16-7)6-12-10(15)13-9(14)4-5-11/h2-3H,4-6H2,1H3,(H2,12,13,14,15).
What are the key properties of 3-chloro-N-[(5-methylthiophen-2-yl)methylcarbamoyl]propanamide?
3-chloro-N-[(5-methylthiophen-2-yl)methylcarbamoyl]propanamide has a molecular weight of 260.75 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(5-methylthiophen-2-yl)methylcarbamoyl]propanamide is sourced from PubChem (CID 62057821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).