N-(cyclopropylmethyl)-3-[5-(4-methoxyphenyl)thiophen-2-yl]propanamide

C18H21NO2S — CID 59152235

IUPACN-(cyclopropylmethyl)-3-[5-(4-methoxyphenyl)thiophen-2-yl]propanamide
SMILESCOc1ccc(-c2ccc(CCC(=O)NCC3CC3)s2)cc1
InChIInChI=1S/C18H21NO2S/c1-21-15-6-4-14(5-7-15)17-10-8-16(22-17)9-11-18(20)19-12-13-2-3-13/h4-8,10,13H,2-3,9,11-12H2,1H3,(H,19,20)
InChIKeyWZDCFRIBEYHCFR-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.88
Rot. Bonds7

About N-(cyclopropylmethyl)-3-[5-(4-methoxyphenyl)thiophen-2-yl]propanamide

N-(cyclopropylmethyl)-3-[5-(4-methoxyphenyl)thiophen-2-yl]propanamide (PubChem CID 59152235) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-[5-(4-methoxyphenyl)thiophen-2-yl]propanamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-[5-(4-methoxyphenyl)thiophen-2-yl]propanamide
PubChem CID59152235
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC NameN-(cyclopropylmethyl)-3-[5-(4-methoxyphenyl)thiophen-2-yl]propanamide
SMILESCOc1ccc(-c2ccc(CCC(=O)NCC3CC3)s2)cc1
InChIInChI=1S/C18H21NO2S/c1-21-15-6-4-14(5-7-15)17-10-8-16(22-17)9-11-18(20)19-12-13-2-3-13/h4-8,10,13H,2-3,9,11-12H2,1H3,(H,19,20)
InChIKeyWZDCFRIBEYHCFR-UHFFFAOYSA-N
XLogP3.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(cyclopropylmethyl)-3-[5-(4-methoxyphenyl)thiophen-2-yl]propanamide 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

2-(cyclopropylmethylamino)-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]acetamide
CID 119815758
3-[5-(4-methoxyphenyl)thiophen-2-yl]-N-phenylpropanamide
CID 59152264
N-[(4-bromocyclohexyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 106134334
cis-(1R,2S)-2-[[5-(4-methoxyphenyl)thiophen-2-yl]methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 125118624
3-amino-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]cyclopentane-1-carboxamide
CID 119815744
2-ethyl-5-(4-methoxyphenyl)thiophene
CID 21064460
N-(cyclopropylmethyl)-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 112810655
(2S,5R)-5-(aminomethyl)-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]oxolane-2-carboxamide;hydrochloride
CID 120796035
2-hexyl-5-(4-methoxyphenyl)thiophene
CID 70491963
N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119940336
(2S)-2-amino-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]-3,3-dimethylbutanamide
CID 119815756
3-(4-methoxyphenyl)-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]propanamide
CID 16919082

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3-[5-(4-methoxyphenyl)thiophen-2-yl]propanamide?
The IUPAC name of N-(cyclopropylmethyl)-3-[5-(4-methoxyphenyl)thiophen-2-yl]propanamide (CID 59152235) is N-(cyclopropylmethyl)-3-[5-(4-methoxyphenyl)thiophen-2-yl]propanamide.
What is the SMILES notation for N-(cyclopropylmethyl)-3-[5-(4-methoxyphenyl)thiophen-2-yl]propanamide?
The canonical SMILES for N-(cyclopropylmethyl)-3-[5-(4-methoxyphenyl)thiophen-2-yl]propanamide is COc1ccc(-c2ccc(CCC(=O)NCC3CC3)s2)cc1.
What is the InChIKey of N-(cyclopropylmethyl)-3-[5-(4-methoxyphenyl)thiophen-2-yl]propanamide?
The InChIKey is WZDCFRIBEYHCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-21-15-6-4-14(5-7-15)17-10-8-16(22-17)9-11-18(20)19-12-13-2-3-13/h4-8,10,13H,2-3,9,11-12H2,1H3,(H,19,20).
What are the key properties of N-(cyclopropylmethyl)-3-[5-(4-methoxyphenyl)thiophen-2-yl]propanamide?
N-(cyclopropylmethyl)-3-[5-(4-methoxyphenyl)thiophen-2-yl]propanamide has a molecular weight of 315.44 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-[5-(4-methoxyphenyl)thiophen-2-yl]propanamide is sourced from PubChem (CID 59152235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).