5-[(2-chlorobenzoyl)amino]-3-methyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]thiophene-2-carboxamide

C24H21ClN4O3S — CID 55853728

IUPAC5-[(2-chlorobenzoyl)amino]-3-methyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]thiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)Nc1cccc(OCCn2cccn2)c1
InChIInChI=1S/C24H21ClN4O3S/c1-16-14-21(28-23(30)19-8-2-3-9-20(19)25)33-22(16)24(31)27-17-6-4-7-18(15-17)32-13-12-29-11-5-10-26-29/h2-11,14-15H,12-13H2,1H3,(H,27,31)(H,28,30)
InChIKeyNKNJFIRGOBTTEY-UHFFFAOYSA-N
MW480.98 g/mol
LogP5.49
Rot. Bonds8

About 5-[(2-chlorobenzoyl)amino]-3-methyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]thiophene-2-carboxamide

5-[(2-chlorobenzoyl)amino]-3-methyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]thiophene-2-carboxamide (PubChem CID 55853728) has the molecular formula C24H21ClN4O3S and a molecular weight of 480.98 g/mol. Its IUPAC name is 5-[(2-chlorobenzoyl)amino]-3-methyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[(2-chlorobenzoyl)amino]-3-methyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]thiophene-2-carboxamide
PubChem CID55853728
Molecular FormulaC24H21ClN4O3S
Molecular Weight480.98 g/mol
Exact Mass480.10
IUPAC Name5-[(2-chlorobenzoyl)amino]-3-methyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]thiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)Nc1cccc(OCCn2cccn2)c1
InChIInChI=1S/C24H21ClN4O3S/c1-16-14-21(28-23(30)19-8-2-3-9-20(19)25)33-22(16)24(31)27-17-6-4-7-18(15-17)32-13-12-29-11-5-10-26-29/h2-11,14-15H,12-13H2,1H3,(H,27,31)(H,28,30)
InChIKeyNKNJFIRGOBTTEY-UHFFFAOYSA-N
XLogP5.49
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.98
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-4-nitro-N-[3-(2-pyrazol-1-ylethoxy)phenyl]benzamide
CID 55766528
5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-[3-(pyridin-2-ylmethoxy)phenyl]thiophene-2-carboxamide
CID 55851405
2-phenoxy-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyridine-3-carboxamide
CID 55880460
2-chloro-N-[4-methyl-5-[4-(2-phenoxyethyl)piperazine-1-carbonyl]thiophen-2-yl]benzamide
CID 55734096
1-(3-methoxyphenyl)-2,5-dimethyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyrrole-3-carboxamide
CID 55967503
N-[3-(2-pyrazol-1-ylethoxy)phenyl]-2H-benzotriazole-4-carboxamide
CID 86804269
2-chloro-5-(propan-2-ylsulfamoyl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]benzamide
CID 55881225
2-chloro-N-[3-(2-methoxyethoxy)phenyl]benzamide
CID 17169773
5-[(2-chlorobenzoyl)amino]-N-[(3-ethoxyphenyl)methyl]-3-methylthiophene-2-carboxamide
CID 55844403
4-phenyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]benzamide
CID 55767479
5-[(2-chlorobenzoyl)amino]-3-methyl-N-quinolin-3-ylthiophene-2-carboxamide
CID 55832112
1-(4-chlorophenyl)-5-methyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]-1,2,4-triazole-3-carboxamide
CID 78901983

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorobenzoyl)amino]-3-methyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]thiophene-2-carboxamide?
The IUPAC name of 5-[(2-chlorobenzoyl)amino]-3-methyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]thiophene-2-carboxamide (CID 55853728) is 5-[(2-chlorobenzoyl)amino]-3-methyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-[(2-chlorobenzoyl)amino]-3-methyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 5-[(2-chlorobenzoyl)amino]-3-methyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]thiophene-2-carboxamide is Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)Nc1cccc(OCCn2cccn2)c1.
What is the InChIKey of 5-[(2-chlorobenzoyl)amino]-3-methyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]thiophene-2-carboxamide?
The InChIKey is NKNJFIRGOBTTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O3S/c1-16-14-21(28-23(30)19-8-2-3-9-20(19)25)33-22(16)24(31)27-17-6-4-7-18(15-17)32-13-12-29-11-5-10-26-29/h2-11,14-15H,12-13H2,1H3,(H,27,31)(H,28,30).
What are the key properties of 5-[(2-chlorobenzoyl)amino]-3-methyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]thiophene-2-carboxamide?
5-[(2-chlorobenzoyl)amino]-3-methyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]thiophene-2-carboxamide has a molecular weight of 480.98 g/mol, XLogP of 5.49, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorobenzoyl)amino]-3-methyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 55853728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).