N-[3-[(3-chlorophenyl)carbamoyl]phenyl]thiophene-2-carboxamide

C18H13ClN2O2S — CID 1010286

IUPACN-[3-[(3-chlorophenyl)carbamoyl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C18H13ClN2O2S/c19-13-5-2-7-15(11-13)20-17(22)12-4-1-6-14(10-12)21-18(23)16-8-3-9-24-16/h1-11H,(H,20,22)(H,21,23)
InChIKeySDEHVGOTBLOXMR-UHFFFAOYSA-N
MW356.83 g/mol
LogP4.91
Rot. Bonds4

About N-[3-[(3-chlorophenyl)carbamoyl]phenyl]thiophene-2-carboxamide

N-[3-[(3-chlorophenyl)carbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 1010286) has the molecular formula C18H13ClN2O2S and a molecular weight of 356.83 g/mol. Its IUPAC name is N-[3-[(3-chlorophenyl)carbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(3-chlorophenyl)carbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID1010286
Molecular FormulaC18H13ClN2O2S
Molecular Weight356.83 g/mol
Exact Mass356.04
IUPAC NameN-[3-[(3-chlorophenyl)carbamoyl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C18H13ClN2O2S/c19-13-5-2-7-15(11-13)20-17(22)12-4-1-6-14(10-12)21-18(23)16-8-3-9-24-16/h1-11H,(H,20,22)(H,21,23)
InChIKeySDEHVGOTBLOXMR-UHFFFAOYSA-N
XLogP4.91
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.83
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl}-4-[(methylsulfanyl)methyl]thiophene-2-carboxamide
CID 18376839
5-chloro-N-(2-(4-(2-oxopyridin-1(2H)-yl)benzamido)ethyl)thiophene-2-carboxamide
CID 10250490
N-(3-chlorophenyl)thiophene-2-carboxamide
CID 531925
3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl}-5-methylthiophene-2-carboxamide
CID 18376748
3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl}-4-methylthiophene-2-carboxamide
CID 18377010
5-(2-Chlorophenyl)-N-[5-(Cyclopropylcarbamoyl)-2-Methylphenyl]thiophene-2-Carboxamide
CID 24985573
N-[3-[[2-[(dimethylamino)methyl]phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 8197605
N-[3-[[2-(diethylaminomethyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 9074003
N-[3-[[2-[(dipropylamino)methyl]phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 151826414
3-Chloro-N-(4-methylphenyl)-1-benzothiophene-2-carboxamide
CID 606829
N-[2-chloro-5-(hydroxycarbamoyl)phenyl]-1-benzothiophene-7-carboxamide
CID 134822021
N-[4-[4-(3,5-dichlorophenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide
CID 155561861

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-chlorophenyl)carbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[(3-chlorophenyl)carbamoyl]phenyl]thiophene-2-carboxamide (CID 1010286) is N-[3-[(3-chlorophenyl)carbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[(3-chlorophenyl)carbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[(3-chlorophenyl)carbamoyl]phenyl]thiophene-2-carboxamide is O=C(Nc1cccc(Cl)c1)c1cccc(NC(=O)c2cccs2)c1.
What is the InChIKey of N-[3-[(3-chlorophenyl)carbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is SDEHVGOTBLOXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O2S/c19-13-5-2-7-15(11-13)20-17(22)12-4-1-6-14(10-12)21-18(23)16-8-3-9-24-16/h1-11H,(H,20,22)(H,21,23).
What are the key properties of N-[3-[(3-chlorophenyl)carbamoyl]phenyl]thiophene-2-carboxamide?
N-[3-[(3-chlorophenyl)carbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 356.83 g/mol, XLogP of 4.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-chlorophenyl)carbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 1010286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).