5-amino-3-(4-chlorophenyl)-N-[(4-chlorophenyl)carbamoyl]-4-cyanothiophene-2-carboxamide

C19H12Cl2N4O2S — CID 44543198

IUPAC5-amino-3-(4-chlorophenyl)-N-[(4-chlorophenyl)carbamoyl]-4-cyanothiophene-2-carboxamide
SMILESN#Cc1c(N)sc(C(=O)NC(=O)Nc2ccc(Cl)cc2)c1-c1ccc(Cl)cc1
InChIInChI=1S/C19H12Cl2N4O2S/c20-11-3-1-10(2-4-11)15-14(9-22)17(23)28-16(15)18(26)25-19(27)24-13-7-5-12(21)6-8-13/h1-8H,23H2,(H2,24,25,26,27)
InChIKeyVFKOWTKQDBGPAI-UHFFFAOYSA-N
MW431.30 g/mol
LogP5.14
Rot. Bonds3

About 5-amino-3-(4-chlorophenyl)-N-[(4-chlorophenyl)carbamoyl]-4-cyanothiophene-2-carboxamide

5-amino-3-(4-chlorophenyl)-N-[(4-chlorophenyl)carbamoyl]-4-cyanothiophene-2-carboxamide (PubChem CID 44543198) has the molecular formula C19H12Cl2N4O2S and a molecular weight of 431.30 g/mol. Its IUPAC name is 5-amino-3-(4-chlorophenyl)-N-[(4-chlorophenyl)carbamoyl]-4-cyanothiophene-2-carboxamide.

Molecular Properties

Compound Name5-amino-3-(4-chlorophenyl)-N-[(4-chlorophenyl)carbamoyl]-4-cyanothiophene-2-carboxamide
PubChem CID44543198
Molecular FormulaC19H12Cl2N4O2S
Molecular Weight431.30 g/mol
Exact Mass430.01
IUPAC Name5-amino-3-(4-chlorophenyl)-N-[(4-chlorophenyl)carbamoyl]-4-cyanothiophene-2-carboxamide
SMILESN#Cc1c(N)sc(C(=O)NC(=O)Nc2ccc(Cl)cc2)c1-c1ccc(Cl)cc1
InChIInChI=1S/C19H12Cl2N4O2S/c20-11-3-1-10(2-4-11)15-14(9-22)17(23)28-16(15)18(26)25-19(27)24-13-7-5-12(21)6-8-13/h1-8H,23H2,(H2,24,25,26,27)
InChIKeyVFKOWTKQDBGPAI-UHFFFAOYSA-N
XLogP5.14
TPSA108.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.30
LogP ≤ 55.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-3-(4-chlorophenyl)-4-cyanothiophene-2-carboxylic acid
CID 54763675
N-[4-(4-chlorophenyl)-3,5-dicyanothiophen-2-yl]acetamide
CID 54771397
3-[[6-amino-3,5-dicyano-4-(4-methylphenyl)-2-pyridinyl]sulfanyl]-N-(4-chlorophenyl)propanamide
CID 23945166
3,6-diamino-5-cyano-N,4-bis(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23733033
ethyl 5-amino-4-cyano-3-phenylthiophene-2-carboxylate
CID 4290243
3,6-diamino-N-(5-chloro-2-pyridinyl)-5-cyano-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 19059793
2,6-dichloro-N-[(4-chlorophenyl)carbamoyl]pyridine-3-carboxamide
CID 21325138
4-[(4-chlorophenyl)carbamoylamino]benzamide
CID 730344
N-[(4-chlorophenyl)carbamoyl]-2,4,6-trifluorobenzamide
CID 53439408
N-[(4-chlorophenyl)carbamoyl]-4-nitrobenzamide
CID 71412019
2,5-diamino-4-(4-methylphenyl)thiophene-3-carbonitrile
CID 70988037
N-[(4-chlorophenyl)carbamoyl]-8-methylsulfanyl-4,5-dihydrothieno[3,4-g][1,2]benzoxazole-6-carboxamide
CID 21039590

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(4-chlorophenyl)-N-[(4-chlorophenyl)carbamoyl]-4-cyanothiophene-2-carboxamide?
The IUPAC name of 5-amino-3-(4-chlorophenyl)-N-[(4-chlorophenyl)carbamoyl]-4-cyanothiophene-2-carboxamide (CID 44543198) is 5-amino-3-(4-chlorophenyl)-N-[(4-chlorophenyl)carbamoyl]-4-cyanothiophene-2-carboxamide.
What is the SMILES notation for 5-amino-3-(4-chlorophenyl)-N-[(4-chlorophenyl)carbamoyl]-4-cyanothiophene-2-carboxamide?
The canonical SMILES for 5-amino-3-(4-chlorophenyl)-N-[(4-chlorophenyl)carbamoyl]-4-cyanothiophene-2-carboxamide is N#Cc1c(N)sc(C(=O)NC(=O)Nc2ccc(Cl)cc2)c1-c1ccc(Cl)cc1.
What is the InChIKey of 5-amino-3-(4-chlorophenyl)-N-[(4-chlorophenyl)carbamoyl]-4-cyanothiophene-2-carboxamide?
The InChIKey is VFKOWTKQDBGPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2N4O2S/c20-11-3-1-10(2-4-11)15-14(9-22)17(23)28-16(15)18(26)25-19(27)24-13-7-5-12(21)6-8-13/h1-8H,23H2,(H2,24,25,26,27).
What are the key properties of 5-amino-3-(4-chlorophenyl)-N-[(4-chlorophenyl)carbamoyl]-4-cyanothiophene-2-carboxamide?
5-amino-3-(4-chlorophenyl)-N-[(4-chlorophenyl)carbamoyl]-4-cyanothiophene-2-carboxamide has a molecular weight of 431.30 g/mol, XLogP of 5.14, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(4-chlorophenyl)-N-[(4-chlorophenyl)carbamoyl]-4-cyanothiophene-2-carboxamide is sourced from PubChem (CID 44543198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).