N-(3-chloro-2,2-dimethylpropyl)-5-methylthiophene-2-carboxamide

C11H16ClNOS — CID 115364549

IUPACN-(3-chloro-2,2-dimethylpropyl)-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC(C)(C)CCl)s1
InChIInChI=1S/C11H16ClNOS/c1-8-4-5-9(15-8)10(14)13-7-11(2,3)6-12/h4-5H,6-7H2,1-3H3,(H,13,14)
InChIKeyHIVOQTJOSFNKJC-UHFFFAOYSA-N
MW245.77 g/mol
LogP3.05
Rot. Bonds4

About N-(3-chloro-2,2-dimethylpropyl)-5-methylthiophene-2-carboxamide

N-(3-chloro-2,2-dimethylpropyl)-5-methylthiophene-2-carboxamide (PubChem CID 115364549) has the molecular formula C11H16ClNOS and a molecular weight of 245.77 g/mol. Its IUPAC name is N-(3-chloro-2,2-dimethylpropyl)-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2,2-dimethylpropyl)-5-methylthiophene-2-carboxamide
PubChem CID115364549
Molecular FormulaC11H16ClNOS
Molecular Weight245.77 g/mol
Exact Mass245.06
IUPAC NameN-(3-chloro-2,2-dimethylpropyl)-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC(C)(C)CCl)s1
InChIInChI=1S/C11H16ClNOS/c1-8-4-5-9(15-8)10(14)13-7-11(2,3)6-12/h4-5H,6-7H2,1-3H3,(H,13,14)
InChIKeyHIVOQTJOSFNKJC-UHFFFAOYSA-N
XLogP3.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.77
LogP ≤ 53.05
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-(2-amino-2-ethylbutyl)-5-methylthiophene-2-carboxamide
CID 81484281
N-[2-[(4-hydroxy-2,2-dimethylbutyl)amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 103825297
5-bromo-N-(3-chloro-2,2-dimethylpropyl)-4-methylthiophene-2-carboxamide
CID 115364639
N-(2-fluoroethyl)-5-methylthiophene-2-carboxamide
CID 130710625
N-(3-amino-3-sulfanylidenepropyl)-5-methylthiophene-2-carboxamide
CID 62665926
5-methyl-N-prop-2-enylthiophene-2-carboxamide
CID 60636458
N-(2-amino-2-methylpropyl)-5-chlorothiophene-2-carboxamide
CID 81483239
N-(2-ethylbutyl)-5-methylthiophene-2-carboxamide
CID 115612504
5-chloro-N-(4-hydroxy-2,2-dimethylbutyl)thiophene-2-carboxamide
CID 103772360
3-methyl-3-[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]butanoic acid
CID 64672275
N-(3-chloro-2,2-dimethylpropyl)thiophene-3-carboxamide
CID 115364717
N-(2,3-dihydroxypropyl)-5-methylthiophene-2-carboxamide
CID 66176220

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2,2-dimethylpropyl)-5-methylthiophene-2-carboxamide?
The IUPAC name of N-(3-chloro-2,2-dimethylpropyl)-5-methylthiophene-2-carboxamide (CID 115364549) is N-(3-chloro-2,2-dimethylpropyl)-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(3-chloro-2,2-dimethylpropyl)-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-(3-chloro-2,2-dimethylpropyl)-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)NCC(C)(C)CCl)s1.
What is the InChIKey of N-(3-chloro-2,2-dimethylpropyl)-5-methylthiophene-2-carboxamide?
The InChIKey is HIVOQTJOSFNKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNOS/c1-8-4-5-9(15-8)10(14)13-7-11(2,3)6-12/h4-5H,6-7H2,1-3H3,(H,13,14).
What are the key properties of N-(3-chloro-2,2-dimethylpropyl)-5-methylthiophene-2-carboxamide?
N-(3-chloro-2,2-dimethylpropyl)-5-methylthiophene-2-carboxamide has a molecular weight of 245.77 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2,2-dimethylpropyl)-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 115364549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).