N-(5-chloro-2-methoxyphenyl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide

C19H16ClN3O3S — CID 78846561

IUPACN-(5-chloro-2-methoxyphenyl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1ccc(NC(=O)Nc2ccccc2)s1
InChIInChI=1S/C19H16ClN3O3S/c1-26-15-8-7-12(20)11-14(15)22-18(24)16-9-10-17(27-16)23-19(25)21-13-5-3-2-4-6-13/h2-11H,1H3,(H,22,24)(H2,21,23,25)
InChIKeySUXOMKQLLNDIIU-UHFFFAOYSA-N
MW401.88 g/mol
LogP5.31
Rot. Bonds5

About N-(5-chloro-2-methoxyphenyl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide

N-(5-chloro-2-methoxyphenyl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide (PubChem CID 78846561) has the molecular formula C19H16ClN3O3S and a molecular weight of 401.88 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide
PubChem CID78846561
Molecular FormulaC19H16ClN3O3S
Molecular Weight401.88 g/mol
Exact Mass401.06
IUPAC NameN-(5-chloro-2-methoxyphenyl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1ccc(NC(=O)Nc2ccccc2)s1
InChIInChI=1S/C19H16ClN3O3S/c1-26-15-8-7-12(20)11-14(15)22-18(24)16-9-10-17(27-16)23-19(25)21-13-5-3-2-4-6-13/h2-11H,1H3,(H,22,24)(H2,21,23,25)
InChIKeySUXOMKQLLNDIIU-UHFFFAOYSA-N
XLogP5.31
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.88
LogP ≤ 55.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(5-chloro-2-methoxyphenyl)-5-(phenylcarbamoylamino)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

6-N-(5-chloro-2-methoxyphenyl)-2-N-phenylpyridine-2,6-dicarboxamide
CID 109099986
N-(2-methylsulfanylphenyl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 78846361
N-(5-chloro-2-methoxyphenyl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 55704407
N-[4-[(5-chloro-2-methoxyphenyl)carbamoylamino]phenyl]-2-fluorobenzamide
CID 141024299
N-(5-chloro-2-methoxyphenyl)-2-[(3-chlorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16897513
N-[5-chloro-2-(2-methoxyethoxy)phenyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide
CID 175745588
N-[4-[(3-chlorophenyl)carbamoylamino]-2,5-dimethoxyphenyl]benzamide
CID 19187598
5-acetamido-N-(5-chloro-2-methylphenyl)thiophene-2-carboxamide
CID 24606547
2-benzoyl-N-(5-chloro-2-methoxyphenyl)benzamide
CID 16624498
3-[(5-chlorothiophene-2-carbonyl)amino]-4-methoxybenzoic acid
CID 63742413
1-(5-chloro-2-methoxyphenyl)-3-(3-cyanophenyl)urea
CID 108991974
5-chloro-N-(5-chloro-2-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80625735

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide (CID 78846561) is N-(5-chloro-2-methoxyphenyl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide is COc1ccc(Cl)cc1NC(=O)c1ccc(NC(=O)Nc2ccccc2)s1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide?
The InChIKey is SUXOMKQLLNDIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O3S/c1-26-15-8-7-12(20)11-14(15)22-18(24)16-9-10-17(27-16)23-19(25)21-13-5-3-2-4-6-13/h2-11H,1H3,(H,22,24)(H2,21,23,25).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide?
N-(5-chloro-2-methoxyphenyl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide has a molecular weight of 401.88 g/mol, XLogP of 5.31, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide is sourced from PubChem (CID 78846561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).