N-(2-chloropropyl)-4,5-dimethylthiophene-2-carboxamide

C10H14ClNOS — CID 114296674

IUPACN-(2-chloropropyl)-4,5-dimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NCC(C)Cl)sc1C
InChIInChI=1S/C10H14ClNOS/c1-6-4-9(14-8(6)3)10(13)12-5-7(2)11/h4,7H,5H2,1-3H3,(H,12,13)
InChIKeyKRXNOAHUVVRNGE-UHFFFAOYSA-N
MW231.75 g/mol
LogP2.72
Rot. Bonds3

About N-(2-chloropropyl)-4,5-dimethylthiophene-2-carboxamide

N-(2-chloropropyl)-4,5-dimethylthiophene-2-carboxamide (PubChem CID 114296674) has the molecular formula C10H14ClNOS and a molecular weight of 231.75 g/mol. Its IUPAC name is N-(2-chloropropyl)-4,5-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloropropyl)-4,5-dimethylthiophene-2-carboxamide
PubChem CID114296674
Molecular FormulaC10H14ClNOS
Molecular Weight231.75 g/mol
Exact Mass231.05
IUPAC NameN-(2-chloropropyl)-4,5-dimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NCC(C)Cl)sc1C
InChIInChI=1S/C10H14ClNOS/c1-6-4-9(14-8(6)3)10(13)12-5-7(2)11/h4,7H,5H2,1-3H3,(H,12,13)
InChIKeyKRXNOAHUVVRNGE-UHFFFAOYSA-N
XLogP2.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.75
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R)-2-hydroxypropyl]-4,5-dimethylthiophene-2-carboxamide
CID 83031116
5-bromo-N-(2-chloropropyl)-4-methylthiophene-2-carboxamide
CID 114296326
N-[2-(diethylamino)propyl]-4,5-dimethylthiophene-2-carboxamide
CID 86982985
N-(2,2-dimethoxyethyl)-4,5-dimethylthiophene-2-carboxamide
CID 60655347
N-(2,3-dihydroxypropyl)-4,5-dimethylthiophene-2-carboxamide
CID 66175829
N-(2,2-diethoxyethyl)-4,5-dimethylthiophene-2-carboxamide
CID 78909936
N-(3-aminobutyl)-4,5-dimethylthiophene-2-carboxamide
CID 65239032
N-(2-amino-2-cyclopropylethyl)-4,5-dimethylthiophene-2-carboxamide
CID 115301198
N-(2-chloropropyl)-N,4,5-trimethylthiophene-2-carboxamide
CID 65238122
N-(2-cyclopentyl-2-hydroxyethyl)-4,5-dimethylthiophene-2-carboxamide
CID 111426339
4,5-dimethyl-N-(2-morpholin-4-ylpropyl)thiophene-2-carboxamide
CID 47168421
N-(2-acetamidoethyl)-4,5-dimethylthiophene-2-carboxamide
CID 30596154

Frequently Asked Questions

What is the IUPAC name of N-(2-chloropropyl)-4,5-dimethylthiophene-2-carboxamide?
The IUPAC name of N-(2-chloropropyl)-4,5-dimethylthiophene-2-carboxamide (CID 114296674) is N-(2-chloropropyl)-4,5-dimethylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-chloropropyl)-4,5-dimethylthiophene-2-carboxamide?
The canonical SMILES for N-(2-chloropropyl)-4,5-dimethylthiophene-2-carboxamide is Cc1cc(C(=O)NCC(C)Cl)sc1C.
What is the InChIKey of N-(2-chloropropyl)-4,5-dimethylthiophene-2-carboxamide?
The InChIKey is KRXNOAHUVVRNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNOS/c1-6-4-9(14-8(6)3)10(13)12-5-7(2)11/h4,7H,5H2,1-3H3,(H,12,13).
What are the key properties of N-(2-chloropropyl)-4,5-dimethylthiophene-2-carboxamide?
N-(2-chloropropyl)-4,5-dimethylthiophene-2-carboxamide has a molecular weight of 231.75 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropropyl)-4,5-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 114296674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).