N-(2-chloro-3-methoxypropyl)thiophene-3-carboxamide

C9H12ClNO2S — CID 114298911

IUPACN-(2-chloro-3-methoxypropyl)thiophene-3-carboxamide
SMILESCOCC(Cl)CNC(=O)c1ccsc1
InChIInChI=1S/C9H12ClNO2S/c1-13-5-8(10)4-11-9(12)7-2-3-14-6-7/h2-3,6,8H,4-5H2,1H3,(H,11,12)
InChIKeyINYKUDJISFQRKO-UHFFFAOYSA-N
MW233.72 g/mol
LogP1.73
Rot. Bonds5

About N-(2-chloro-3-methoxypropyl)thiophene-3-carboxamide

N-(2-chloro-3-methoxypropyl)thiophene-3-carboxamide (PubChem CID 114298911) has the molecular formula C9H12ClNO2S and a molecular weight of 233.72 g/mol. Its IUPAC name is N-(2-chloro-3-methoxypropyl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-3-methoxypropyl)thiophene-3-carboxamide
PubChem CID114298911
Molecular FormulaC9H12ClNO2S
Molecular Weight233.72 g/mol
Exact Mass233.03
IUPAC NameN-(2-chloro-3-methoxypropyl)thiophene-3-carboxamide
SMILESCOCC(Cl)CNC(=O)c1ccsc1
InChIInChI=1S/C9H12ClNO2S/c1-13-5-8(10)4-11-9(12)7-2-3-14-6-7/h2-3,6,8H,4-5H2,1H3,(H,11,12)
InChIKeyINYKUDJISFQRKO-UHFFFAOYSA-N
XLogP1.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.72
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(2-chloro-3-methoxypropyl)benzamide
CID 114298950
N-(2-chloro-3-ethylpentyl)thiophene-3-carboxamide
CID 106287256
N-(2-methoxy-2-thiophen-3-ylethyl)thiophene-3-carboxamide
CID 71804732
N-[2-hydroxy-3-(2-methylpropoxy)propyl]thiophene-3-carboxamide
CID 111662690
N-[(2R)-1-amino-3-methoxy-1-oxopropan-2-yl]thiophene-3-carboxamide
CID 97062302
2-methoxyethyl 3-(thiophene-3-carbonylamino)propanoate
CID 86913899
N-[2-(thiophene-3-carbonylamino)ethyl]thiophene-3-carboxamide
CID 101004058
5-bromo-N-(2-chloro-3-methoxypropyl)thiophene-2-carboxamide
CID 114298739
N-[4-(1-methoxypropan-2-ylamino)-4-oxobutyl]thiophene-3-carboxamide
CID 18161073
3-bromo-5-chloro-N-(2-chloro-3-methoxypropyl)benzamide
CID 107941141
N-(2-chloro-3-methoxypropyl)-2-fluorobenzamide
CID 114298974
5-chloro-N-(2-chloro-3-methoxypropyl)furan-2-carboxamide
CID 106689982

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-methoxypropyl)thiophene-3-carboxamide?
The IUPAC name of N-(2-chloro-3-methoxypropyl)thiophene-3-carboxamide (CID 114298911) is N-(2-chloro-3-methoxypropyl)thiophene-3-carboxamide.
What is the SMILES notation for N-(2-chloro-3-methoxypropyl)thiophene-3-carboxamide?
The canonical SMILES for N-(2-chloro-3-methoxypropyl)thiophene-3-carboxamide is COCC(Cl)CNC(=O)c1ccsc1.
What is the InChIKey of N-(2-chloro-3-methoxypropyl)thiophene-3-carboxamide?
The InChIKey is INYKUDJISFQRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO2S/c1-13-5-8(10)4-11-9(12)7-2-3-14-6-7/h2-3,6,8H,4-5H2,1H3,(H,11,12).
What are the key properties of N-(2-chloro-3-methoxypropyl)thiophene-3-carboxamide?
N-(2-chloro-3-methoxypropyl)thiophene-3-carboxamide has a molecular weight of 233.72 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-methoxypropyl)thiophene-3-carboxamide is sourced from PubChem (CID 114298911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).