N-(3-chlorophenyl)-N-methyl-5-(3-methylphenyl)thiophene-2-carboxamide

C19H16ClNOS — CID 118716527

IUPACN-(3-chlorophenyl)-N-methyl-5-(3-methylphenyl)thiophene-2-carboxamide
SMILESCc1cccc(-c2ccc(C(=O)N(C)c3cccc(Cl)c3)s2)c1
InChIInChI=1S/C19H16ClNOS/c1-13-5-3-6-14(11-13)17-9-10-18(23-17)19(22)21(2)16-8-4-7-15(20)12-16/h3-12H,1-2H3
InChIKeyRCHVMXLELLTODJ-UHFFFAOYSA-N
MW341.86 g/mol
LogP5.65
Rot. Bonds3

About N-(3-chlorophenyl)-N-methyl-5-(3-methylphenyl)thiophene-2-carboxamide

N-(3-chlorophenyl)-N-methyl-5-(3-methylphenyl)thiophene-2-carboxamide (PubChem CID 118716527) has the molecular formula C19H16ClNOS and a molecular weight of 341.86 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N-methyl-5-(3-methylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-N-methyl-5-(3-methylphenyl)thiophene-2-carboxamide
PubChem CID118716527
Molecular FormulaC19H16ClNOS
Molecular Weight341.86 g/mol
Exact Mass341.06
IUPAC NameN-(3-chlorophenyl)-N-methyl-5-(3-methylphenyl)thiophene-2-carboxamide
SMILESCc1cccc(-c2ccc(C(=O)N(C)c3cccc(Cl)c3)s2)c1
InChIInChI=1S/C19H16ClNOS/c1-13-5-3-6-14(11-13)17-9-10-18(23-17)19(22)21(2)16-8-4-7-15(20)12-16/h3-12H,1-2H3
InChIKeyRCHVMXLELLTODJ-UHFFFAOYSA-N
XLogP5.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.86
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-N-methyl-5-(3-methylphenyl)thiophene-2-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-N-methyl-5-(3-methylphenyl)thiophene-2-carboxamide (CID 118716527) is N-(3-chlorophenyl)-N-methyl-5-(3-methylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-N-methyl-5-(3-methylphenyl)thiophene-2-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-N-methyl-5-(3-methylphenyl)thiophene-2-carboxamide is Cc1cccc(-c2ccc(C(=O)N(C)c3cccc(Cl)c3)s2)c1.
What is the InChIKey of N-(3-chlorophenyl)-N-methyl-5-(3-methylphenyl)thiophene-2-carboxamide?
The InChIKey is RCHVMXLELLTODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNOS/c1-13-5-3-6-14(11-13)17-9-10-18(23-17)19(22)21(2)16-8-4-7-15(20)12-16/h3-12H,1-2H3.
What are the key properties of N-(3-chlorophenyl)-N-methyl-5-(3-methylphenyl)thiophene-2-carboxamide?
N-(3-chlorophenyl)-N-methyl-5-(3-methylphenyl)thiophene-2-carboxamide has a molecular weight of 341.86 g/mol, XLogP of 5.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-N-methyl-5-(3-methylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 118716527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).