N-(1-chloropropan-2-yl)-5-ethyl-N-methylthiophene-2-carboxamide

C11H16ClNOS — CID 104555878

IUPACN-(1-chloropropan-2-yl)-5-ethyl-N-methylthiophene-2-carboxamide
SMILESCCc1ccc(C(=O)N(C)C(C)CCl)s1
InChIInChI=1S/C11H16ClNOS/c1-4-9-5-6-10(15-9)11(14)13(3)8(2)7-12/h5-6,8H,4,7H2,1-3H3
InChIKeyMCGAVGGWELRWIB-UHFFFAOYSA-N
MW245.77 g/mol
LogP3.01
Rot. Bonds4

About N-(1-chloropropan-2-yl)-5-ethyl-N-methylthiophene-2-carboxamide

N-(1-chloropropan-2-yl)-5-ethyl-N-methylthiophene-2-carboxamide (PubChem CID 104555878) has the molecular formula C11H16ClNOS and a molecular weight of 245.77 g/mol. Its IUPAC name is N-(1-chloropropan-2-yl)-5-ethyl-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-chloropropan-2-yl)-5-ethyl-N-methylthiophene-2-carboxamide
PubChem CID104555878
Molecular FormulaC11H16ClNOS
Molecular Weight245.77 g/mol
Exact Mass245.06
IUPAC NameN-(1-chloropropan-2-yl)-5-ethyl-N-methylthiophene-2-carboxamide
SMILESCCc1ccc(C(=O)N(C)C(C)CCl)s1
InChIInChI=1S/C11H16ClNOS/c1-4-9-5-6-10(15-9)11(14)13(3)8(2)7-12/h5-6,8H,4,7H2,1-3H3
InChIKeyMCGAVGGWELRWIB-UHFFFAOYSA-N
XLogP3.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.77
LogP ≤ 53.01
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-((5-(2-chloroacetyl)thiophen-2-yl)methyl)acetamide
CID 4962027
N-cyclohexyl-5-ethylthiophene-2-carboxamide
CID 1245810
(5-Ethylthiophen-2-yl)(4-methyl-1,4-diazepan-1-yl)methanone
CID 6467529
(5-Ethylthiophen-2-yl)(pyrrolidin-1-yl)methanone
CID 1246054
Thiophene-2-carboxamide, N-ethyl-N-butyl-
CID 2164665
N,N-diethylthiophene-2-carboxamide
CID 962897
N-heptan-4-yl-5-methylthiophene-2-carboxamide
CID 57527918
N-((5-(2-chloroacetyl)thiophen-2-yl)methyl)-2,2-dimethylpropanamide
CID 2560371
(2-Ethylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 2842657
(2-Ethylpiperidin-1-yl)-(5-methylthiophen-2-yl)methanone
CID 78783962
N,N-di(propan-2-yl)thiophene-2-carboxamide
CID 792123
Thiophene-2-carboxamide, N,N-dibutyl-
CID 532898

Frequently Asked Questions

What is the IUPAC name of N-(1-chloropropan-2-yl)-5-ethyl-N-methylthiophene-2-carboxamide?
The IUPAC name of N-(1-chloropropan-2-yl)-5-ethyl-N-methylthiophene-2-carboxamide (CID 104555878) is N-(1-chloropropan-2-yl)-5-ethyl-N-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(1-chloropropan-2-yl)-5-ethyl-N-methylthiophene-2-carboxamide?
The canonical SMILES for N-(1-chloropropan-2-yl)-5-ethyl-N-methylthiophene-2-carboxamide is CCc1ccc(C(=O)N(C)C(C)CCl)s1.
What is the InChIKey of N-(1-chloropropan-2-yl)-5-ethyl-N-methylthiophene-2-carboxamide?
The InChIKey is MCGAVGGWELRWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNOS/c1-4-9-5-6-10(15-9)11(14)13(3)8(2)7-12/h5-6,8H,4,7H2,1-3H3.
What are the key properties of N-(1-chloropropan-2-yl)-5-ethyl-N-methylthiophene-2-carboxamide?
N-(1-chloropropan-2-yl)-5-ethyl-N-methylthiophene-2-carboxamide has a molecular weight of 245.77 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloropropan-2-yl)-5-ethyl-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 104555878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).