N-[cyclopropyl-(4-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide

C17H19NO2S — CID 42925486

IUPACN-[cyclopropyl-(4-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide
SMILESCOc1ccc(C(NC(=O)c2ccc(C)s2)C2CC2)cc1
InChIInChI=1S/C17H19NO2S/c1-11-3-10-15(21-11)17(19)18-16(12-4-5-12)13-6-8-14(20-2)9-7-13/h3,6-10,12,16H,4-5H2,1-2H3,(H,18,19)
InChIKeyPCKHHYRXNLYLSJ-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.95
Rot. Bonds5

About N-[cyclopropyl-(4-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide

N-[cyclopropyl-(4-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide (PubChem CID 42925486) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-[cyclopropyl-(4-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[cyclopropyl-(4-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide
PubChem CID42925486
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC NameN-[cyclopropyl-(4-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide
SMILESCOc1ccc(C(NC(=O)c2ccc(C)s2)C2CC2)cc1
InChIInChI=1S/C17H19NO2S/c1-11-3-10-15(21-11)17(19)18-16(12-4-5-12)13-6-8-14(20-2)9-7-13/h3,6-10,12,16H,4-5H2,1-2H3,(H,18,19)
InChIKeyPCKHHYRXNLYLSJ-UHFFFAOYSA-N
XLogP3.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[cyclopropyl-(4-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(4-methoxyphenyl)-2-methylpropyl]-5-methylthiophene-2-carboxamide
CID 60605702
N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide
CID 60701170
N-[cyclopropyl-(4-methoxyphenyl)methyl]benzamide
CID 46566275
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylpropanamide
CID 60701189
4-[4-[[cyclopropyl-(4-methoxyphenyl)methyl]carbamoyl]phenoxy]benzamide
CID 56545772
N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136845482
N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 38468848
3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide
CID 61252828
2-hydroxyethyl N-[cyclopropyl-(4-methoxyphenyl)methyl]carbamate
CID 79348785
1-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]cyclopentane-1-carboxamide
CID 61253218
N-[cyclopropyl-(4-methoxyphenyl)methyl]-3,4-difluorobenzamide
CID 46571976
N-[cyclopropyl-(4-methoxyphenyl)methyl]hydroxylamine
CID 82684518

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[cyclopropyl-(4-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide (CID 42925486) is N-[cyclopropyl-(4-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[cyclopropyl-(4-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[cyclopropyl-(4-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide is COc1ccc(C(NC(=O)c2ccc(C)s2)C2CC2)cc1.
What is the InChIKey of N-[cyclopropyl-(4-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide?
The InChIKey is PCKHHYRXNLYLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-11-3-10-15(21-11)17(19)18-16(12-4-5-12)13-6-8-14(20-2)9-7-13/h3,6-10,12,16H,4-5H2,1-2H3,(H,18,19).
What are the key properties of N-[cyclopropyl-(4-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide?
N-[cyclopropyl-(4-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide has a molecular weight of 301.41 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 42925486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).