N-benzhydryl-4-benzylthieno[3,2-b]pyrrole-5-carboxamide

C27H22N2OS — CID 3225191

IUPACN-benzhydryl-4-benzylthieno[3,2-b]pyrrole-5-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)c1cc2sccc2n1Cc1ccccc1
InChIInChI=1S/C27H22N2OS/c30-27(28-26(21-12-6-2-7-13-21)22-14-8-3-9-15-22)24-18-25-23(16-17-31-25)29(24)19-20-10-4-1-5-11-20/h1-18,26H,19H2,(H,28,30)
InChIKeyIVVIRRZEKQETRX-UHFFFAOYSA-N
MW422.55 g/mol
LogP6.27
Rot. Bonds6

About N-benzhydryl-4-benzylthieno[3,2-b]pyrrole-5-carboxamide

N-benzhydryl-4-benzylthieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 3225191) has the molecular formula C27H22N2OS and a molecular weight of 422.55 g/mol. Its IUPAC name is N-benzhydryl-4-benzylthieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-benzhydryl-4-benzylthieno[3,2-b]pyrrole-5-carboxamide
PubChem CID3225191
Molecular FormulaC27H22N2OS
Molecular Weight422.55 g/mol
Exact Mass422.15
IUPAC NameN-benzhydryl-4-benzylthieno[3,2-b]pyrrole-5-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)c1cc2sccc2n1Cc1ccccc1
InChIInChI=1S/C27H22N2OS/c30-27(28-26(21-12-6-2-7-13-21)22-14-8-3-9-15-22)24-18-25-23(16-17-31-25)29(24)19-20-10-4-1-5-11-20/h1-18,26H,19H2,(H,28,30)
InChIKeyIVVIRRZEKQETRX-UHFFFAOYSA-N
XLogP6.27
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.55
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzyl-N-[(1S)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 51889638
methyl 2-[(4-benzylthieno[3,2-b]pyrrole-5-carbonyl)amino]-3-methylbutanoate
CID 51052868
4-[(4-methoxyphenyl)methyl]-N-(1-phenylethyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 46156383
4-benzyl-N-(1,3-thiazol-2-yl)thieno[3,2-b]pyrrole-5-carboxamide
CID 3225162
4-benzyl-N-propylthieno[3,2-b]pyrrole-5-carboxamide
CID 3225185
4-[(4-fluorophenyl)methyl]-N-(4-phenylbutan-2-yl)thieno[3,2-b]pyrrole-5-carboxamide
CID 20877121
4-benzyl-N-[(E)-benzylideneamino]thieno[3,2-b]pyrrole-5-carboxamide
CID 155803468
4-benzyl-N-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide
CID 3225128
4-benzyl-N-prop-2-ynylthieno[3,2-b]pyrrole-5-carboxamide
CID 89336756
4-benzyl-N-(4-methylphenyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 3225099
4-(cyclopropylmethyl)-N-[(1S)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 93324428
4-benzyl-N-(3-fluorophenyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 3225121

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-4-benzylthieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of N-benzhydryl-4-benzylthieno[3,2-b]pyrrole-5-carboxamide (CID 3225191) is N-benzhydryl-4-benzylthieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for N-benzhydryl-4-benzylthieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for N-benzhydryl-4-benzylthieno[3,2-b]pyrrole-5-carboxamide is O=C(NC(c1ccccc1)c1ccccc1)c1cc2sccc2n1Cc1ccccc1.
What is the InChIKey of N-benzhydryl-4-benzylthieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is IVVIRRZEKQETRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2OS/c30-27(28-26(21-12-6-2-7-13-21)22-14-8-3-9-15-22)24-18-25-23(16-17-31-25)29(24)19-20-10-4-1-5-11-20/h1-18,26H,19H2,(H,28,30).
What are the key properties of N-benzhydryl-4-benzylthieno[3,2-b]pyrrole-5-carboxamide?
N-benzhydryl-4-benzylthieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 422.55 g/mol, XLogP of 6.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-4-benzylthieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 3225191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).