3-bromo-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide

C18H20BrNO2S — CID 55762149

IUPAC3-bromo-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide
SMILESCOc1ccc(CN(C(=O)c2sccc2Br)C(C)C2CC2)cc1
InChIInChI=1S/C18H20BrNO2S/c1-12(14-5-6-14)20(18(21)17-16(19)9-10-23-17)11-13-3-7-15(22-2)8-4-13/h3-4,7-10,12,14H,5-6,11H2,1-2H3
InChIKeyUQUPREHBRXCOCB-UHFFFAOYSA-N
MW394.33 g/mol
LogP4.96
Rot. Bonds6

About 3-bromo-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide

3-bromo-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide (PubChem CID 55762149) has the molecular formula C18H20BrNO2S and a molecular weight of 394.33 g/mol. Its IUPAC name is 3-bromo-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide
PubChem CID55762149
Molecular FormulaC18H20BrNO2S
Molecular Weight394.33 g/mol
Exact Mass393.04
IUPAC Name3-bromo-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide
SMILESCOc1ccc(CN(C(=O)c2sccc2Br)C(C)C2CC2)cc1
InChIInChI=1S/C18H20BrNO2S/c1-12(14-5-6-14)20(18(21)17-16(19)9-10-23-17)11-13-3-7-15(22-2)8-4-13/h3-4,7-10,12,14H,5-6,11H2,1-2H3
InChIKeyUQUPREHBRXCOCB-UHFFFAOYSA-N
XLogP4.96
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.33
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-bromo-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]thiophene-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

3-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 60794133
2-benzyl-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 55670905
N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 55550967
N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-1,3-benzodioxole-5-carboxamide
CID 55552023
3-(3-bromo-4-methoxyphenyl)-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 55575014
N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-1-benzofuran-2-carboxamide
CID 42945917
3-bromo-N-(cyclopropylmethyl)-N-propan-2-ylthiophene-2-carboxamide
CID 60783055
N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-2-phenylmethoxyacetamide
CID 55550866
N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 55552365
2-[[(1S)-1-cyclopropylethyl]-[(4-methoxyphenyl)methyl]amino]acetic acid
CID 100636955
2-(2-chlorophenyl)-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 55550870
N-(1-cyclopropylethyl)-2-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 42945913

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide?
The IUPAC name of 3-bromo-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide (CID 55762149) is 3-bromo-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide is COc1ccc(CN(C(=O)c2sccc2Br)C(C)C2CC2)cc1.
What is the InChIKey of 3-bromo-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide?
The InChIKey is UQUPREHBRXCOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO2S/c1-12(14-5-6-14)20(18(21)17-16(19)9-10-23-17)11-13-3-7-15(22-2)8-4-13/h3-4,7-10,12,14H,5-6,11H2,1-2H3.
What are the key properties of 3-bromo-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide?
3-bromo-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide has a molecular weight of 394.33 g/mol, XLogP of 4.96, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 55762149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).