5-[(2-chlorobenzoyl)amino]-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-methylthiophene-2-carboxamide

C25H25ClN2O4S — CID 55830772

IUPAC5-[(2-chlorobenzoyl)amino]-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-methylthiophene-2-carboxamide
SMILESCOc1ccc(OC)c(CN(C(=O)c2sc(NC(=O)c3ccccc3Cl)cc2C)C2CC2)c1
InChIInChI=1S/C25H25ClN2O4S/c1-15-12-22(27-24(29)19-6-4-5-7-20(19)26)33-23(15)25(30)28(17-8-9-17)14-16-13-18(31-2)10-11-21(16)32-3/h4-7,10-13,17H,8-9,14H2,1-3H3,(H,27,29)
InChIKeyFJQKMIVHSIDRGU-UHFFFAOYSA-N
MW485.01 g/mol
LogP5.78
Rot. Bonds8

About 5-[(2-chlorobenzoyl)amino]-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-methylthiophene-2-carboxamide

5-[(2-chlorobenzoyl)amino]-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-methylthiophene-2-carboxamide (PubChem CID 55830772) has the molecular formula C25H25ClN2O4S and a molecular weight of 485.01 g/mol. Its IUPAC name is 5-[(2-chlorobenzoyl)amino]-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-[(2-chlorobenzoyl)amino]-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-methylthiophene-2-carboxamide
PubChem CID55830772
Molecular FormulaC25H25ClN2O4S
Molecular Weight485.01 g/mol
Exact Mass484.12
IUPAC Name5-[(2-chlorobenzoyl)amino]-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-methylthiophene-2-carboxamide
SMILESCOc1ccc(OC)c(CN(C(=O)c2sc(NC(=O)c3ccccc3Cl)cc2C)C2CC2)c1
InChIInChI=1S/C25H25ClN2O4S/c1-15-12-22(27-24(29)19-6-4-5-7-20(19)26)33-23(15)25(30)28(17-8-9-17)14-16-13-18(31-2)10-11-21(16)32-3/h4-7,10-13,17H,8-9,14H2,1-3H3,(H,27,29)
InChIKeyFJQKMIVHSIDRGU-UHFFFAOYSA-N
XLogP5.78
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.01
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[(2-chlorobenzoyl)amino]-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-methylthiophene-2-carboxamide with MolForge

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Related Compounds

5-[(2-chloro-4-fluorobenzoyl)amino]-N-cyclopropyl-3-methyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 55728531
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-2-(trifluoromethyl)benzamide
CID 47024721
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]naphthalene-2-carboxamide
CID 33078186
N-[5-[4-(acetamidomethyl)piperidine-1-carbonyl]-4-methylthiophen-2-yl]-2-chlorobenzamide
CID 55844141
2-chloro-N-[2-[[2-(2,5-dimethoxyphenyl)acetyl]amino]ethyl]benzamide
CID 78868092
2-chloro-N-[5-[[[2-(3,4-dimethylphenoxy)acetyl]amino]carbamoyl]-4-methylthiophen-2-yl]benzamide
CID 55790277
2-chloro-N-[5-(2-cyclobutylpyrrolidine-1-carbonyl)-4-methylthiophen-2-yl]benzamide
CID 86887232
methyl 1-[5-[(2-chlorobenzoyl)amino]-3-methylthiophene-2-carbonyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate
CID 55870701
3-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-N-(2,6-dichlorophenyl)propanamide
CID 34982405
2-chloro-N-(2,4-dimethoxyphenyl)benzamide
CID 722324
5-[(2-chlorobenzoyl)amino]-3-methyl-N-methylsulfonylthiophene-2-carboxamide
CID 167950679
2-chloro-N-[5-[[(4-ethoxybenzoyl)amino]carbamoyl]-4-methylthiophen-2-yl]benzamide
CID 55734380

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorobenzoyl)amino]-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-methylthiophene-2-carboxamide?
The IUPAC name of 5-[(2-chlorobenzoyl)amino]-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-methylthiophene-2-carboxamide (CID 55830772) is 5-[(2-chlorobenzoyl)amino]-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-[(2-chlorobenzoyl)amino]-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for 5-[(2-chlorobenzoyl)amino]-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-methylthiophene-2-carboxamide is COc1ccc(OC)c(CN(C(=O)c2sc(NC(=O)c3ccccc3Cl)cc2C)C2CC2)c1.
What is the InChIKey of 5-[(2-chlorobenzoyl)amino]-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-methylthiophene-2-carboxamide?
The InChIKey is FJQKMIVHSIDRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN2O4S/c1-15-12-22(27-24(29)19-6-4-5-7-20(19)26)33-23(15)25(30)28(17-8-9-17)14-16-13-18(31-2)10-11-21(16)32-3/h4-7,10-13,17H,8-9,14H2,1-3H3,(H,27,29).
What are the key properties of 5-[(2-chlorobenzoyl)amino]-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-methylthiophene-2-carboxamide?
5-[(2-chlorobenzoyl)amino]-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-methylthiophene-2-carboxamide has a molecular weight of 485.01 g/mol, XLogP of 5.78, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorobenzoyl)amino]-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 55830772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).