5-[(2-chlorobenzoyl)amino]-3-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]thiophene-2-carboxamide

C19H19ClN4O2S — CID 86968195

IUPAC5-[(2-chlorobenzoyl)amino]-3-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]thiophene-2-carboxamide
SMILESCc1cnn(CCNC(=O)c2sc(NC(=O)c3ccccc3Cl)cc2C)c1
InChIInChI=1S/C19H19ClN4O2S/c1-12-10-22-24(11-12)8-7-21-19(26)17-13(2)9-16(27-17)23-18(25)14-5-3-4-6-15(14)20/h3-6,9-11H,7-8H2,1-2H3,(H,21,26)(H,23,25)
InChIKeyPGOJTOYKOCXQCX-UHFFFAOYSA-N
MW402.91 g/mol
LogP3.90
Rot. Bonds6

About 5-[(2-chlorobenzoyl)amino]-3-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]thiophene-2-carboxamide

5-[(2-chlorobenzoyl)amino]-3-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]thiophene-2-carboxamide (PubChem CID 86968195) has the molecular formula C19H19ClN4O2S and a molecular weight of 402.91 g/mol. Its IUPAC name is 5-[(2-chlorobenzoyl)amino]-3-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[(2-chlorobenzoyl)amino]-3-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]thiophene-2-carboxamide
PubChem CID86968195
Molecular FormulaC19H19ClN4O2S
Molecular Weight402.91 g/mol
Exact Mass402.09
IUPAC Name5-[(2-chlorobenzoyl)amino]-3-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]thiophene-2-carboxamide
SMILESCc1cnn(CCNC(=O)c2sc(NC(=O)c3ccccc3Cl)cc2C)c1
InChIInChI=1S/C19H19ClN4O2S/c1-12-10-22-24(11-12)8-7-21-19(26)17-13(2)9-16(27-17)23-18(25)14-5-3-4-6-15(14)20/h3-6,9-11H,7-8H2,1-2H3,(H,21,26)(H,23,25)
InChIKeyPGOJTOYKOCXQCX-UHFFFAOYSA-N
XLogP3.90
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.91
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-anilinopropyl)-5-[(2-chlorobenzoyl)amino]-3-methylthiophene-2-carboxamide
CID 56586586
5-[(2-chlorobenzoyl)amino]-3-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 55734581
5-[(2-chlorobenzoyl)amino]-3-methyl-N-methylsulfonylthiophene-2-carboxamide
CID 167950679
N-(1-amino-3-methyl-1-oxopentan-2-yl)-5-[(2-chlorobenzoyl)amino]-3-methylthiophene-2-carboxamide
CID 78887382
N-[2-(4-methylpyrazol-1-yl)ethyl]-2-sulfanylbenzamide
CID 114130493
5-[(2-chlorobenzoyl)amino]-3-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]thiophene-2-carboxamide
CID 55852453
5-[(2-chlorobenzoyl)amino]-N-heptan-2-yl-3-methylthiophene-2-carboxamide
CID 55734516
N-(1-benzylpyrazol-4-yl)-5-[(2-chloro-4-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide
CID 55948739
2-chloro-N-[5-[[(4-ethylbenzoyl)amino]carbamoyl]-4-methylthiophen-2-yl]benzamide
CID 55788870
5-[(2-chloro-4-fluorobenzoyl)amino]-N-[2-(ethylamino)ethyl]-3-methylthiophene-2-carboxamide
CID 119506730
5-[(2-chlorobenzoyl)amino]-3-methyl-N-quinolin-3-ylthiophene-2-carboxamide
CID 55832112
3-bromo-2-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]benzamide
CID 103707551

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorobenzoyl)amino]-3-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-[(2-chlorobenzoyl)amino]-3-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]thiophene-2-carboxamide (CID 86968195) is 5-[(2-chlorobenzoyl)amino]-3-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-[(2-chlorobenzoyl)amino]-3-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-[(2-chlorobenzoyl)amino]-3-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]thiophene-2-carboxamide is Cc1cnn(CCNC(=O)c2sc(NC(=O)c3ccccc3Cl)cc2C)c1.
What is the InChIKey of 5-[(2-chlorobenzoyl)amino]-3-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is PGOJTOYKOCXQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O2S/c1-12-10-22-24(11-12)8-7-21-19(26)17-13(2)9-16(27-17)23-18(25)14-5-3-4-6-15(14)20/h3-6,9-11H,7-8H2,1-2H3,(H,21,26)(H,23,25).
What are the key properties of 5-[(2-chlorobenzoyl)amino]-3-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]thiophene-2-carboxamide?
5-[(2-chlorobenzoyl)amino]-3-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 402.91 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorobenzoyl)amino]-3-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 86968195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).