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

C23H22N2O3S — CID 59761424

IUPACN-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-[4-(hydroxymethyl)phenyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc(-c2ccc(CO)cc2)s1
InChIInChI=1S/C23H22N2O3S/c1-14-2-5-17(22(27)24-18-8-9-18)12-19(14)25-23(28)21-11-10-20(29-21)16-6-3-15(13-26)4-7-16/h2-7,10-12,18,26H,8-9,13H2,1H3,(H,24,27)(H,25,28)
InChIKeyYCHQFRFMSZAMGH-UHFFFAOYSA-N
MW406.51 g/mol
LogP4.36
Rot. Bonds6

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

N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-[4-(hydroxymethyl)phenyl]thiophene-2-carboxamide (PubChem CID 59761424) has the molecular formula C23H22N2O3S and a molecular weight of 406.51 g/mol. Its IUPAC name is N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-[4-(hydroxymethyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-[4-(hydroxymethyl)phenyl]thiophene-2-carboxamide
PubChem CID59761424
Molecular FormulaC23H22N2O3S
Molecular Weight406.51 g/mol
Exact Mass406.14
IUPAC NameN-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-[4-(hydroxymethyl)phenyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc(-c2ccc(CO)cc2)s1
InChIInChI=1S/C23H22N2O3S/c1-14-2-5-17(22(27)24-18-8-9-18)12-19(14)25-23(28)21-11-10-20(29-21)16-6-3-15(13-26)4-7-16/h2-7,10-12,18,26H,8-9,13H2,1H3,(H,24,27)(H,25,28)
InChIKeyYCHQFRFMSZAMGH-UHFFFAOYSA-N
XLogP4.36
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

SARS-CoV-2 PLpro Inhibitor, 75
CID 156907319
4-Methyl-3-[(thiophen-2-ylcarbonyl)amino]benzoic acid
CID 743768
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-[4-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 71714379
4-Methyl-3-{[(5-methyl-2-thienyl)methyl]amino}benzoic acid
CID 6492093
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide
CID 55786207
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-phenylthiophene-2-carboxamide
CID 59761440
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-[4-[(dimethylamino)methyl]phenyl]thiophene-2-carboxamide
CID 59761458
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-(4-methoxyphenyl)thiophene-2-carboxamide
CID 59761459
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-(4-hydroxyphenyl)thiophene-2-carboxamide
CID 59761462
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-[4-(dimethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 59761509
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 59761513
5-(4-cyanophenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]thiophene-2-carboxamide
CID 67148905

Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-[4-(hydroxymethyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-[4-(hydroxymethyl)phenyl]thiophene-2-carboxamide (CID 59761424) is N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-[4-(hydroxymethyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-[4-(hydroxymethyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-[4-(hydroxymethyl)phenyl]thiophene-2-carboxamide is Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc(-c2ccc(CO)cc2)s1.
What is the InChIKey of N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-[4-(hydroxymethyl)phenyl]thiophene-2-carboxamide?
The InChIKey is YCHQFRFMSZAMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3S/c1-14-2-5-17(22(27)24-18-8-9-18)12-19(14)25-23(28)21-11-10-20(29-21)16-6-3-15(13-26)4-7-16/h2-7,10-12,18,26H,8-9,13H2,1H3,(H,24,27)(H,25,28).
What are the key properties of N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-[4-(hydroxymethyl)phenyl]thiophene-2-carboxamide?
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-[4-(hydroxymethyl)phenyl]thiophene-2-carboxamide has a molecular weight of 406.51 g/mol, XLogP of 4.36, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-[4-(hydroxymethyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 59761424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).