N-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]thiophene-2-carboxamide

C23H22N2O2S — CID 44578459

IUPACN-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]thiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2cccs2)cc1-c1ccc(C(=O)NCC2CC2)cc1
InChIInChI=1S/C23H22N2O2S/c1-15-4-11-19(25-23(27)21-3-2-12-28-21)13-20(15)17-7-9-18(10-8-17)22(26)24-14-16-5-6-16/h2-4,7-13,16H,5-6,14H2,1H3,(H,24,26)(H,25,27)
InChIKeyDSCOLKAXAZBGGN-UHFFFAOYSA-N
MW390.51 g/mol
LogP5.12
Rot. Bonds6

About N-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]thiophene-2-carboxamide

N-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]thiophene-2-carboxamide (PubChem CID 44578459) has the molecular formula C23H22N2O2S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]thiophene-2-carboxamide
PubChem CID44578459
Molecular FormulaC23H22N2O2S
Molecular Weight390.51 g/mol
Exact Mass390.14
IUPAC NameN-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]thiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2cccs2)cc1-c1ccc(C(=O)NCC2CC2)cc1
InChIInChI=1S/C23H22N2O2S/c1-15-4-11-19(25-23(27)21-3-2-12-28-21)13-20(15)17-7-9-18(10-8-17)22(26)24-14-16-5-6-16/h2-4,7-13,16H,5-6,14H2,1H3,(H,24,26)(H,25,27)
InChIKeyDSCOLKAXAZBGGN-UHFFFAOYSA-N
XLogP5.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.51
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[3-[[2-[(dimethylamino)methyl]phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]thiophene-2-carboxamide (CID 44578459) is N-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]thiophene-2-carboxamide is Cc1ccc(NC(=O)c2cccs2)cc1-c1ccc(C(=O)NCC2CC2)cc1.
What is the InChIKey of N-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]thiophene-2-carboxamide?
The InChIKey is DSCOLKAXAZBGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2S/c1-15-4-11-19(25-23(27)21-3-2-12-28-21)13-20(15)17-7-9-18(10-8-17)22(26)24-14-16-5-6-16/h2-4,7-13,16H,5-6,14H2,1H3,(H,24,26)(H,25,27).
What are the key properties of N-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]thiophene-2-carboxamide?
N-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]thiophene-2-carboxamide has a molecular weight of 390.51 g/mol, XLogP of 5.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]thiophene-2-carboxamide is sourced from PubChem (CID 44578459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).