N-(1-chloropropan-2-yl)-3-methylthiophene-2-carboxamide

C9H12ClNOS — CID 114299504

IUPACN-(1-chloropropan-2-yl)-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NC(C)CCl
InChIInChI=1S/C9H12ClNOS/c1-6-3-4-13-8(6)9(12)11-7(2)5-10/h3-4,7H,5H2,1-2H3,(H,11,12)
InChIKeyVUHZECMWJVRTAH-UHFFFAOYSA-N
MW217.72 g/mol
LogP2.41
Rot. Bonds3

About N-(1-chloropropan-2-yl)-3-methylthiophene-2-carboxamide

N-(1-chloropropan-2-yl)-3-methylthiophene-2-carboxamide (PubChem CID 114299504) has the molecular formula C9H12ClNOS and a molecular weight of 217.72 g/mol. Its IUPAC name is N-(1-chloropropan-2-yl)-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-chloropropan-2-yl)-3-methylthiophene-2-carboxamide
PubChem CID114299504
Molecular FormulaC9H12ClNOS
Molecular Weight217.72 g/mol
Exact Mass217.03
IUPAC NameN-(1-chloropropan-2-yl)-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NC(C)CCl
InChIInChI=1S/C9H12ClNOS/c1-6-3-4-13-8(6)9(12)11-7(2)5-10/h3-4,7H,5H2,1-2H3,(H,11,12)
InChIKeyVUHZECMWJVRTAH-UHFFFAOYSA-N
XLogP2.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.72
LogP ≤ 52.41
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)-1-aminopropan-2-yl]-3-methylthiophene-2-carboxamide
CID 104872952
N-[(2S)-1-aminopropan-2-yl]-3-methylthiophene-2-carboxamide
CID 130616224
N-[(2R)-1-methoxypropan-2-yl]-3-methylthiophene-2-carboxamide
CID 51969435
(4R)-4-[(3-methylthiophene-2-carbonyl)amino]pentanoic acid
CID 95332881
N-(4-amino-4-hydroxyiminobutan-2-yl)-3-methylthiophene-2-carboxamide
CID 76934806
2-[(3-methylthiophene-2-carbonyl)amino]butanoic acid
CID 43387169
N-(1-bromo-4-methylpentan-3-yl)-3-methylthiophene-2-carboxamide
CID 106355164
3-methyl-N-pent-1-yn-3-ylthiophene-2-carboxamide
CID 103579009
3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]thiophene-2-carboxamide
CID 51187724
3-methyl-N-(1-pyridin-2-ylethyl)thiophene-2-carboxamide
CID 43007029
3-chloro-N-(4-hydroxybutan-2-yl)thiophene-2-carboxamide
CID 83186616
N-[2-(chloromethyl)phenyl]-3-methylthiophene-2-carboxamide
CID 114298265

Frequently Asked Questions

What is the IUPAC name of N-(1-chloropropan-2-yl)-3-methylthiophene-2-carboxamide?
The IUPAC name of N-(1-chloropropan-2-yl)-3-methylthiophene-2-carboxamide (CID 114299504) is N-(1-chloropropan-2-yl)-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(1-chloropropan-2-yl)-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-(1-chloropropan-2-yl)-3-methylthiophene-2-carboxamide is Cc1ccsc1C(=O)NC(C)CCl.
What is the InChIKey of N-(1-chloropropan-2-yl)-3-methylthiophene-2-carboxamide?
The InChIKey is VUHZECMWJVRTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNOS/c1-6-3-4-13-8(6)9(12)11-7(2)5-10/h3-4,7H,5H2,1-2H3,(H,11,12).
What are the key properties of N-(1-chloropropan-2-yl)-3-methylthiophene-2-carboxamide?
N-(1-chloropropan-2-yl)-3-methylthiophene-2-carboxamide has a molecular weight of 217.72 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloropropan-2-yl)-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 114299504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).