N-[2-chloro-5-[(2,4,6-trimethylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide

C21H19ClN2O2S — CID 78776503

IUPACN-[2-chloro-5-[(2,4,6-trimethylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
SMILESCc1cc(C)c(NC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)c(C)c1
InChIInChI=1S/C21H19ClN2O2S/c1-12-9-13(2)19(14(3)10-12)24-20(25)15-6-7-16(22)17(11-15)23-21(26)18-5-4-8-27-18/h4-11H,1-3H3,(H,23,26)(H,24,25)
InChIKeyFKIRVSTXCSZQJI-UHFFFAOYSA-N
MW398.92 g/mol
LogP5.83
Rot. Bonds4

About N-[2-chloro-5-[(2,4,6-trimethylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide

N-[2-chloro-5-[(2,4,6-trimethylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 78776503) has the molecular formula C21H19ClN2O2S and a molecular weight of 398.92 g/mol. Its IUPAC name is N-[2-chloro-5-[(2,4,6-trimethylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-[(2,4,6-trimethylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID78776503
Molecular FormulaC21H19ClN2O2S
Molecular Weight398.92 g/mol
Exact Mass398.09
IUPAC NameN-[2-chloro-5-[(2,4,6-trimethylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
SMILESCc1cc(C)c(NC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)c(C)c1
InChIInChI=1S/C21H19ClN2O2S/c1-12-9-13(2)19(14(3)10-12)24-20(25)15-6-7-16(22)17(11-15)23-21(26)18-5-4-8-27-18/h4-11H,1-3H3,(H,23,26)(H,24,25)
InChIKeyFKIRVSTXCSZQJI-UHFFFAOYSA-N
XLogP5.83
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.92
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-chloro-5-[(2,5-dimethylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 26500049
N-[5-(acetamidocarbamoyl)-2-chlorophenyl]thiophene-2-carboxamide
CID 43006993
N-[2-chloro-5-(pyridin-4-ylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 27700085
N-[2-chloro-5-(dimethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 27678340
N-[2-chloro-5-[(3,5-dimethoxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 42994538
N-[2-chloro-5-[(4-methyl-1,3-benzothiazol-2-yl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 4784751
methyl 4-[(2,5-dichlorophenyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzoate
CID 5341379
N-[2-chloro-5-[(3-hydroxy-2-pyridinyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 46652846
N-[2-chloro-5-[[4-(diethylcarbamoyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 34542770
ethyl 3-[[4-chloro-3-(thiophene-2-carbonylamino)benzoyl]amino]benzoate
CID 34201771
N-[2-chloro-5-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 134016335
N-[2-chloro-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 55339455

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[(2,4,6-trimethylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-chloro-5-[(2,4,6-trimethylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide (CID 78776503) is N-[2-chloro-5-[(2,4,6-trimethylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-chloro-5-[(2,4,6-trimethylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-chloro-5-[(2,4,6-trimethylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide is Cc1cc(C)c(NC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)c(C)c1.
What is the InChIKey of N-[2-chloro-5-[(2,4,6-trimethylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is FKIRVSTXCSZQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O2S/c1-12-9-13(2)19(14(3)10-12)24-20(25)15-6-7-16(22)17(11-15)23-21(26)18-5-4-8-27-18/h4-11H,1-3H3,(H,23,26)(H,24,25).
What are the key properties of N-[2-chloro-5-[(2,4,6-trimethylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide?
N-[2-chloro-5-[(2,4,6-trimethylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 398.92 g/mol, XLogP of 5.83, 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-[(2,4,6-trimethylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 78776503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).