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

C22H20N2O2S — CID 117090387

IUPACN-benzyl-5-[4-(cyclopropylcarbamoyl)phenyl]thiophene-2-carboxamide
SMILESO=C(NC1CC1)c1ccc(-c2ccc(C(=O)NCc3ccccc3)s2)cc1
InChIInChI=1S/C22H20N2O2S/c25-21(24-18-10-11-18)17-8-6-16(7-9-17)19-12-13-20(27-19)22(26)23-14-15-4-2-1-3-5-15/h1-9,12-13,18H,10-11,14H2,(H,23,26)(H,24,25)
InChIKeyJCUJANFAUKHNHN-UHFFFAOYSA-N
MW376.48 g/mol
LogP4.24
Rot. Bonds6

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

N-benzyl-5-[4-(cyclopropylcarbamoyl)phenyl]thiophene-2-carboxamide (PubChem CID 117090387) has the molecular formula C22H20N2O2S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-benzyl-5-[4-(cyclopropylcarbamoyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-[4-(cyclopropylcarbamoyl)phenyl]thiophene-2-carboxamide
PubChem CID117090387
Molecular FormulaC22H20N2O2S
Molecular Weight376.48 g/mol
Exact Mass376.12
IUPAC NameN-benzyl-5-[4-(cyclopropylcarbamoyl)phenyl]thiophene-2-carboxamide
SMILESO=C(NC1CC1)c1ccc(-c2ccc(C(=O)NCc3ccccc3)s2)cc1
InChIInChI=1S/C22H20N2O2S/c25-21(24-18-10-11-18)17-8-6-16(7-9-17)19-12-13-20(27-19)22(26)23-14-15-4-2-1-3-5-15/h1-9,12-13,18H,10-11,14H2,(H,23,26)(H,24,25)
InChIKeyJCUJANFAUKHNHN-UHFFFAOYSA-N
XLogP4.24
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[4-(benzylcarbamoyl)phenyl]-N-hydroxythiophene-2-carboxamide
CID 58968960
N-(1-benzylpiperidin-4-yl)-5-[4-(cyclopropylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 117081019
N-benzyl-3-[4-(cyclopropylcarbamoyl)phenyl]benzamide
CID 117087146
1-N-benzyl-3-N-cyclopropylbenzene-1,3-dicarboxamide
CID 109050687
N-benzyl-5-(4-ethoxyphenyl)thiophene-2-carboxamide
CID 46083104
5-[3,4-bis(phenylmethoxy)phenyl]-N-cyclopropylthiophene-2-carboxamide
CID 25131160
N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-5-(4-fluorophenyl)thiophene-2-carboxamide
CID 46565714
5-(4-bromophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide
CID 38496186
5-[4-[[(3R)-oxolan-3-yl]carbamoyl]phenyl]-N-propylthiophene-2-carboxamide
CID 126425253
4-benzyl-N-cyclopropylbenzamide
CID 45086871
N-(1-benzylpiperidin-4-yl)-5-[4-(4-methylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 117079965
N-[(3-methoxyphenyl)methyl]-5-(4-phenoxyphenyl)thiophene-2-carboxamide
CID 46082949

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-[4-(cyclopropylcarbamoyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-benzyl-5-[4-(cyclopropylcarbamoyl)phenyl]thiophene-2-carboxamide (CID 117090387) is N-benzyl-5-[4-(cyclopropylcarbamoyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-benzyl-5-[4-(cyclopropylcarbamoyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-benzyl-5-[4-(cyclopropylcarbamoyl)phenyl]thiophene-2-carboxamide is O=C(NC1CC1)c1ccc(-c2ccc(C(=O)NCc3ccccc3)s2)cc1.
What is the InChIKey of N-benzyl-5-[4-(cyclopropylcarbamoyl)phenyl]thiophene-2-carboxamide?
The InChIKey is JCUJANFAUKHNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2S/c25-21(24-18-10-11-18)17-8-6-16(7-9-17)19-12-13-20(27-19)22(26)23-14-15-4-2-1-3-5-15/h1-9,12-13,18H,10-11,14H2,(H,23,26)(H,24,25).
What are the key properties of N-benzyl-5-[4-(cyclopropylcarbamoyl)phenyl]thiophene-2-carboxamide?
N-benzyl-5-[4-(cyclopropylcarbamoyl)phenyl]thiophene-2-carboxamide has a molecular weight of 376.48 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-[4-(cyclopropylcarbamoyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 117090387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).