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

C25H27N3O2S — CID 59761458

IUPACN-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-[4-[(dimethylamino)methyl]phenyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc(-c2ccc(CN(C)C)cc2)s1
InChIInChI=1S/C25H27N3O2S/c1-16-4-7-19(24(29)26-20-10-11-20)14-21(16)27-25(30)23-13-12-22(31-23)18-8-5-17(6-9-18)15-28(2)3/h4-9,12-14,20H,10-11,15H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyUMOQDMLDLKTMII-UHFFFAOYSA-N
MW433.58 g/mol
LogP4.93
Rot. Bonds7

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

N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-[4-[(dimethylamino)methyl]phenyl]thiophene-2-carboxamide (PubChem CID 59761458) has the molecular formula C25H27N3O2S and a molecular weight of 433.58 g/mol. Its IUPAC name is N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-[4-[(dimethylamino)methyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-[4-[(dimethylamino)methyl]phenyl]thiophene-2-carboxamide
PubChem CID59761458
Molecular FormulaC25H27N3O2S
Molecular Weight433.58 g/mol
Exact Mass433.18
IUPAC NameN-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-[4-[(dimethylamino)methyl]phenyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc(-c2ccc(CN(C)C)cc2)s1
InChIInChI=1S/C25H27N3O2S/c1-16-4-7-19(24(29)26-20-10-11-20)14-21(16)27-25(30)23-13-12-22(31-23)18-8-5-17(6-9-18)15-28(2)3/h4-9,12-14,20H,10-11,15H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyUMOQDMLDLKTMII-UHFFFAOYSA-N
XLogP4.93
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.58
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

CID 24985573
CID 24985573
CID 155801618
CID 155801618
CID 155801622
CID 155801622
CID 156907310
CID 156907310
CID 156907317
CID 156907317
CID 1075575
CID 1075575
CID 8197605
CID 8197605
CID 9074003
CID 9074003
CID 10430432
CID 10430432
CID 24985915
CID 24985915
CID 151826414
CID 151826414
CID 155512662
CID 155512662

Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-[4-[(dimethylamino)methyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-[4-[(dimethylamino)methyl]phenyl]thiophene-2-carboxamide (CID 59761458) is N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-[4-[(dimethylamino)methyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-[4-[(dimethylamino)methyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-[4-[(dimethylamino)methyl]phenyl]thiophene-2-carboxamide is Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc(-c2ccc(CN(C)C)cc2)s1.
What is the InChIKey of N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-[4-[(dimethylamino)methyl]phenyl]thiophene-2-carboxamide?
The InChIKey is UMOQDMLDLKTMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2S/c1-16-4-7-19(24(29)26-20-10-11-20)14-21(16)27-25(30)23-13-12-22(31-23)18-8-5-17(6-9-18)15-28(2)3/h4-9,12-14,20H,10-11,15H2,1-3H3,(H,26,29)(H,27,30).
What are the key properties of N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-[4-[(dimethylamino)methyl]phenyl]thiophene-2-carboxamide?
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-[4-[(dimethylamino)methyl]phenyl]thiophene-2-carboxamide has a molecular weight of 433.58 g/mol, XLogP of 4.93, 7 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-[(dimethylamino)methyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 59761458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).