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

C11H16ClNOS — CID 65238122

IUPACN-(2-chloropropyl)-N,4,5-trimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)N(C)CC(C)Cl)sc1C
InChIInChI=1S/C11H16ClNOS/c1-7-5-10(15-9(7)3)11(14)13(4)6-8(2)12/h5,8H,6H2,1-4H3
InChIKeyIPTBROUZLREUPC-UHFFFAOYSA-N
MW245.77 g/mol
LogP3.06
Rot. Bonds3

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

N-(2-chloropropyl)-N,4,5-trimethylthiophene-2-carboxamide (PubChem CID 65238122) has the molecular formula C11H16ClNOS and a molecular weight of 245.77 g/mol. Its IUPAC name is N-(2-chloropropyl)-N,4,5-trimethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloropropyl)-N,4,5-trimethylthiophene-2-carboxamide
PubChem CID65238122
Molecular FormulaC11H16ClNOS
Molecular Weight245.77 g/mol
Exact Mass245.06
IUPAC NameN-(2-chloropropyl)-N,4,5-trimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)N(C)CC(C)Cl)sc1C
InChIInChI=1S/C11H16ClNOS/c1-7-5-10(15-9(7)3)11(14)13(4)6-8(2)12/h5,8H,6H2,1-4H3
InChIKeyIPTBROUZLREUPC-UHFFFAOYSA-N
XLogP3.06
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.77
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloropropyl)-4,5-dimethylthiophene-2-carboxamide
CID 114296674
2,5-dibromo-N-(2-chloropropyl)-N-methylthiophene-3-carboxamide
CID 107965873
N-(2-chloropropyl)-3-hydroxy-N,4-dimethylbenzamide
CID 63393949
N-[(4-fluorophenyl)methyl]-N,4,5-trimethylthiophene-2-carboxamide
CID 78771151
1-(4,5-dimethylthiophen-2-yl)-2-methylpropan-1-one
CID 114962093
N-(2-cyanoethyl)-4,5-dimethyl-N-(2-methylpropyl)thiophene-2-carboxamide
CID 60656645
3,5-dibromo-N-(2-chloropropyl)-N-methylbenzamide
CID 107974799
methyl 4-[(4,5-dimethylthiophene-2-carbonyl)-methylamino]butanoate
CID 54940815
N,5-dimethyl-N-(2-methylpropyl)-4-sulfamoylthiophene-2-carboxamide
CID 112689674
N-(2-chloropropyl)-N,3-dimethylbenzamide
CID 63393760
N-ethyl-N-(2-hydroxy-2-methylpropyl)-4,5-dimethylthiophene-2-carboxamide
CID 79386844
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-4,5-dimethylthiophene-2-carboxamide
CID 107491841

Frequently Asked Questions

What is the IUPAC name of N-(2-chloropropyl)-N,4,5-trimethylthiophene-2-carboxamide?
The IUPAC name of N-(2-chloropropyl)-N,4,5-trimethylthiophene-2-carboxamide (CID 65238122) is N-(2-chloropropyl)-N,4,5-trimethylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-chloropropyl)-N,4,5-trimethylthiophene-2-carboxamide?
The canonical SMILES for N-(2-chloropropyl)-N,4,5-trimethylthiophene-2-carboxamide is Cc1cc(C(=O)N(C)CC(C)Cl)sc1C.
What is the InChIKey of N-(2-chloropropyl)-N,4,5-trimethylthiophene-2-carboxamide?
The InChIKey is IPTBROUZLREUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNOS/c1-7-5-10(15-9(7)3)11(14)13(4)6-8(2)12/h5,8H,6H2,1-4H3.
What are the key properties of N-(2-chloropropyl)-N,4,5-trimethylthiophene-2-carboxamide?
N-(2-chloropropyl)-N,4,5-trimethylthiophene-2-carboxamide has a molecular weight of 245.77 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropropyl)-N,4,5-trimethylthiophene-2-carboxamide is sourced from PubChem (CID 65238122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).