3-chloro-N-(3-hydroxybutyl)-N,4-dimethylthiophene-2-carboxamide

C11H16ClNO2S — CID 103403296

IUPAC3-chloro-N-(3-hydroxybutyl)-N,4-dimethylthiophene-2-carboxamide
SMILESCc1csc(C(=O)N(C)CCC(C)O)c1Cl
InChIInChI=1S/C11H16ClNO2S/c1-7-6-16-10(9(7)12)11(15)13(3)5-4-8(2)14/h6,8,14H,4-5H2,1-3H3
InChIKeyUXAFUBRYDGETSX-UHFFFAOYSA-N
MW261.77 g/mol
LogP2.55
Rot. Bonds4

About 3-chloro-N-(3-hydroxybutyl)-N,4-dimethylthiophene-2-carboxamide

3-chloro-N-(3-hydroxybutyl)-N,4-dimethylthiophene-2-carboxamide (PubChem CID 103403296) has the molecular formula C11H16ClNO2S and a molecular weight of 261.77 g/mol. Its IUPAC name is 3-chloro-N-(3-hydroxybutyl)-N,4-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(3-hydroxybutyl)-N,4-dimethylthiophene-2-carboxamide
PubChem CID103403296
Molecular FormulaC11H16ClNO2S
Molecular Weight261.77 g/mol
Exact Mass261.06
IUPAC Name3-chloro-N-(3-hydroxybutyl)-N,4-dimethylthiophene-2-carboxamide
SMILESCc1csc(C(=O)N(C)CCC(C)O)c1Cl
InChIInChI=1S/C11H16ClNO2S/c1-7-6-16-10(9(7)12)11(15)13(3)5-4-8(2)14/h6,8,14H,4-5H2,1-3H3
InChIKeyUXAFUBRYDGETSX-UHFFFAOYSA-N
XLogP2.55
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.77
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-chloro-4-methylthiophene-2-carbonyl)-methylamino]butanoic acid
CID 103399966
3-chloro-N,4-dimethyl-N-(2-piperazin-1-ylethyl)thiophene-2-carboxamide
CID 103403645
3-bromo-N-(3-hydroxybutyl)-N-methylthiophene-2-carboxamide
CID 111695920
3-chloro-N-ethyl-4-methyl-N-[(2S)-1-methylsulfonylpropan-2-yl]thiophene-2-carboxamide
CID 164637014
1-(3-chloro-4-methylthiophen-2-yl)-2-methylpropan-1-one
CID 103407395
3-chloro-N-(1-chloro-2-methylpropan-2-yl)-N,4-dimethylthiophene-2-carboxamide
CID 103406176
N-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-3-chloro-N,4-dimethylthiophene-2-carboxamide
CID 103405004
N-(3-hydroxybutyl)-3-methoxy-N,5-dimethylthiophene-2-carboxamide
CID 111758309
N-(3-hydroxybutyl)-N-methylthiophene-3-carboxamide
CID 111695384
3-chloro-N-cyclobutyl-N-(3-hydroxypropyl)-4-methylthiophene-2-carboxamide
CID 103403343
3-chloro-N-(3-chloropropyl)-N-ethyl-4-methylthiophene-2-carboxamide
CID 103406170
N-(2-bromoethyl)-3-chloro-N-cyclohexyl-4-methylthiophene-2-carboxamide
CID 103405905

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-hydroxybutyl)-N,4-dimethylthiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-(3-hydroxybutyl)-N,4-dimethylthiophene-2-carboxamide (CID 103403296) is 3-chloro-N-(3-hydroxybutyl)-N,4-dimethylthiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(3-hydroxybutyl)-N,4-dimethylthiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-(3-hydroxybutyl)-N,4-dimethylthiophene-2-carboxamide is Cc1csc(C(=O)N(C)CCC(C)O)c1Cl.
What is the InChIKey of 3-chloro-N-(3-hydroxybutyl)-N,4-dimethylthiophene-2-carboxamide?
The InChIKey is UXAFUBRYDGETSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2S/c1-7-6-16-10(9(7)12)11(15)13(3)5-4-8(2)14/h6,8,14H,4-5H2,1-3H3.
What are the key properties of 3-chloro-N-(3-hydroxybutyl)-N,4-dimethylthiophene-2-carboxamide?
3-chloro-N-(3-hydroxybutyl)-N,4-dimethylthiophene-2-carboxamide has a molecular weight of 261.77 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-hydroxybutyl)-N,4-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 103403296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).