N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-[4-(dimethylcarbamoyl)phenyl]thiophene-2-carboxamide

C25H25N3O3S — CID 59761509

IUPACN-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-[4-(dimethylcarbamoyl)phenyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc(-c2ccc(C(=O)N(C)C)cc2)s1
InChIInChI=1S/C25H25N3O3S/c1-15-4-5-18(23(29)26-19-10-11-19)14-20(15)27-24(30)22-13-12-21(32-22)16-6-8-17(9-7-16)25(31)28(2)3/h4-9,12-14,19H,10-11H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyUKKGLZFUGQGJSZ-UHFFFAOYSA-N
MW447.56 g/mol
LogP4.57
Rot. Bonds6

About N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-[4-(dimethylcarbamoyl)phenyl]thiophene-2-carboxamide

N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-[4-(dimethylcarbamoyl)phenyl]thiophene-2-carboxamide (PubChem CID 59761509) has the molecular formula C25H25N3O3S and a molecular weight of 447.56 g/mol. Its IUPAC name is N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-[4-(dimethylcarbamoyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-[4-(dimethylcarbamoyl)phenyl]thiophene-2-carboxamide
PubChem CID59761509
Molecular FormulaC25H25N3O3S
Molecular Weight447.56 g/mol
Exact Mass447.16
IUPAC NameN-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-[4-(dimethylcarbamoyl)phenyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc(-c2ccc(C(=O)N(C)C)cc2)s1
InChIInChI=1S/C25H25N3O3S/c1-15-4-5-18(23(29)26-19-10-11-19)14-20(15)27-24(30)22-13-12-21(32-22)16-6-8-17(9-7-16)25(31)28(2)3/h4-9,12-14,19H,10-11H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyUKKGLZFUGQGJSZ-UHFFFAOYSA-N
XLogP4.57
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-[4-(dimethylcarbamoyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-[4-(dimethylcarbamoyl)phenyl]thiophene-2-carboxamide (CID 59761509) is N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-[4-(dimethylcarbamoyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-[4-(dimethylcarbamoyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-[4-(dimethylcarbamoyl)phenyl]thiophene-2-carboxamide is Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc(-c2ccc(C(=O)N(C)C)cc2)s1.
What is the InChIKey of N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-[4-(dimethylcarbamoyl)phenyl]thiophene-2-carboxamide?
The InChIKey is UKKGLZFUGQGJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3S/c1-15-4-5-18(23(29)26-19-10-11-19)14-20(15)27-24(30)22-13-12-21(32-22)16-6-8-17(9-7-16)25(31)28(2)3/h4-9,12-14,19H,10-11H2,1-3H3,(H,26,29)(H,27,30).
What are the key properties of N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-[4-(dimethylcarbamoyl)phenyl]thiophene-2-carboxamide?
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-[4-(dimethylcarbamoyl)phenyl]thiophene-2-carboxamide has a molecular weight of 447.56 g/mol, XLogP of 4.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-[4-(dimethylcarbamoyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 59761509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).