N-[2-chloro-5-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylcarbamoyl]phenyl]thiophene-2-carboxamide

C24H22ClN3O3S — CID 43058073

IUPACN-[2-chloro-5-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylcarbamoyl]phenyl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C24H22ClN3O3S/c1-14(15-6-9-18(10-7-15)27-22(29)16-4-5-16)26-23(30)17-8-11-19(25)20(13-17)28-24(31)21-3-2-12-32-21/h2-3,6-14,16H,4-5H2,1H3,(H,26,30)(H,27,29)(H,28,31)
InChIKeyPBEFUHWVMUQSMC-UHFFFAOYSA-N
MW467.98 g/mol
LogP5.49
Rot. Bonds7

About N-[2-chloro-5-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylcarbamoyl]phenyl]thiophene-2-carboxamide

N-[2-chloro-5-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylcarbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 43058073) has the molecular formula C24H22ClN3O3S and a molecular weight of 467.98 g/mol. Its IUPAC name is N-[2-chloro-5-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylcarbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylcarbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID43058073
Molecular FormulaC24H22ClN3O3S
Molecular Weight467.98 g/mol
Exact Mass467.11
IUPAC NameN-[2-chloro-5-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylcarbamoyl]phenyl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C24H22ClN3O3S/c1-14(15-6-9-18(10-7-15)27-22(29)16-4-5-16)26-23(30)17-8-11-19(25)20(13-17)28-24(31)21-3-2-12-32-21/h2-3,6-14,16H,4-5H2,1H3,(H,26,30)(H,27,29)(H,28,31)
InChIKeyPBEFUHWVMUQSMC-UHFFFAOYSA-N
XLogP5.49
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.98
LogP ≤ 55.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[2-chloro-5-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylcarbamoyl]phenyl]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

N-[2-chloro-5-[1-(4-propan-2-yloxyphenyl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 55579282
N-[2-chloro-5-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 55360579
N-[2-chloro-5-[1-(oxolan-2-yl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 43062296
4-[[4-chloro-3-(thiophene-2-carbonylamino)benzoyl]amino]pentanoic acid
CID 102561133
N-[5-[[(1S)-1-(1-adamantyl)ethyl]carbamoyl]-2-chlorophenyl]thiophene-2-carboxamide
CID 41152356
N-[2-chloro-5-[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 55666154
N-[2-chloro-5-(6-methylheptan-2-ylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 43005371
N-[4-[1-(2-chlorophenyl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 55373079
N-[2-chloro-5-(pyridin-4-ylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 27700085
N-[5-(acetamidocarbamoyl)-2-chlorophenyl]thiophene-2-carboxamide
CID 43006993
N-[2-chloro-5-[[4-(diethylcarbamoyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 34542770
(2S)-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 46580849

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylcarbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-chloro-5-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylcarbamoyl]phenyl]thiophene-2-carboxamide (CID 43058073) is N-[2-chloro-5-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylcarbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-chloro-5-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylcarbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-chloro-5-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylcarbamoyl]phenyl]thiophene-2-carboxamide is CC(NC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)c1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[2-chloro-5-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylcarbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is PBEFUHWVMUQSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O3S/c1-14(15-6-9-18(10-7-15)27-22(29)16-4-5-16)26-23(30)17-8-11-19(25)20(13-17)28-24(31)21-3-2-12-32-21/h2-3,6-14,16H,4-5H2,1H3,(H,26,30)(H,27,29)(H,28,31).
What are the key properties of N-[2-chloro-5-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylcarbamoyl]phenyl]thiophene-2-carboxamide?
N-[2-chloro-5-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylcarbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 467.98 g/mol, XLogP of 5.49, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylcarbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 43058073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).