N-[2-chloro-5-[(4-methylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide

C19H15ClN2O2S — CID 1337323

IUPACN-[2-chloro-5-[(4-methylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)cc1
InChIInChI=1S/C19H15ClN2O2S/c1-12-4-7-14(8-5-12)21-18(23)13-6-9-15(20)16(11-13)22-19(24)17-3-2-10-25-17/h2-11H,1H3,(H,21,23)(H,22,24)
InChIKeyPADHYKUZZCNJBV-UHFFFAOYSA-N
MW370.86 g/mol
LogP5.21
Rot. Bonds4

About N-[2-chloro-5-[(4-methylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide

N-[2-chloro-5-[(4-methylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 1337323) has the molecular formula C19H15ClN2O2S and a molecular weight of 370.86 g/mol. Its IUPAC name is N-[2-chloro-5-[(4-methylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-[(4-methylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID1337323
Molecular FormulaC19H15ClN2O2S
Molecular Weight370.86 g/mol
Exact Mass370.05
IUPAC NameN-[2-chloro-5-[(4-methylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)cc1
InChIInChI=1S/C19H15ClN2O2S/c1-12-4-7-14(8-5-12)21-18(23)13-6-9-15(20)16(11-13)22-19(24)17-3-2-10-25-17/h2-11H,1H3,(H,21,23)(H,22,24)
InChIKeyPADHYKUZZCNJBV-UHFFFAOYSA-N
XLogP5.21
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.86
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[(4-methylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-chloro-5-[(4-methylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide (CID 1337323) is N-[2-chloro-5-[(4-methylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-chloro-5-[(4-methylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-chloro-5-[(4-methylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide is Cc1ccc(NC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)cc1.
What is the InChIKey of N-[2-chloro-5-[(4-methylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is PADHYKUZZCNJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O2S/c1-12-4-7-14(8-5-12)21-18(23)13-6-9-15(20)16(11-13)22-19(24)17-3-2-10-25-17/h2-11H,1H3,(H,21,23)(H,22,24).
What are the key properties of N-[2-chloro-5-[(4-methylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide?
N-[2-chloro-5-[(4-methylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 370.86 g/mol, XLogP of 5.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-[(4-methylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 1337323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).