4-benzyl-N-[(1S)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide

C22H20N2OS — CID 51889638

IUPAC4-benzyl-N-[(1S)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide
SMILESC[C@H](NC(=O)c1cc2sccc2n1Cc1ccccc1)c1ccccc1
InChIInChI=1S/C22H20N2OS/c1-16(18-10-6-3-7-11-18)23-22(25)20-14-21-19(12-13-26-21)24(20)15-17-8-4-2-5-9-17/h2-14,16H,15H2,1H3,(H,23,25)/t16-/m0/s1
InChIKeyKYXZFYSBBKPXKZ-INIZCTEOSA-N
MW360.48 g/mol
LogP5.24
Rot. Bonds5

About 4-benzyl-N-[(1S)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide

4-benzyl-N-[(1S)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 51889638) has the molecular formula C22H20N2OS and a molecular weight of 360.48 g/mol. Its IUPAC name is 4-benzyl-N-[(1S)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-[(1S)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide
PubChem CID51889638
Molecular FormulaC22H20N2OS
Molecular Weight360.48 g/mol
Exact Mass360.13
IUPAC Name4-benzyl-N-[(1S)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide
SMILESC[C@H](NC(=O)c1cc2sccc2n1Cc1ccccc1)c1ccccc1
InChIInChI=1S/C22H20N2OS/c1-16(18-10-6-3-7-11-18)23-22(25)20-14-21-19(12-13-26-21)24(20)15-17-8-4-2-5-9-17/h2-14,16H,15H2,1H3,(H,23,25)/t16-/m0/s1
InChIKeyKYXZFYSBBKPXKZ-INIZCTEOSA-N
XLogP5.24
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.48
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-methoxyphenyl)methyl]-N-(1-phenylethyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 46156383
N-benzhydryl-4-benzylthieno[3,2-b]pyrrole-5-carboxamide
CID 3225191
4-(cyclopropylmethyl)-N-[(1S)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 93324428
4-[(E)-but-2-enyl]-N-(1-phenylethyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 46039034
methyl 2-[(4-benzylthieno[3,2-b]pyrrole-5-carbonyl)amino]-3-methylbutanoate
CID 51052868
1-benzyl-N-[(1R)-1-phenylethyl]indole-2-carboxamide
CID 7313084
4-methyl-N-(1-phenylethyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 20877133
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-3-bromo-N-(1-phenylethyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 46040335
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

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-[(1S)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 4-benzyl-N-[(1S)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide (CID 51889638) is 4-benzyl-N-[(1S)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 4-benzyl-N-[(1S)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 4-benzyl-N-[(1S)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide is C[C@H](NC(=O)c1cc2sccc2n1Cc1ccccc1)c1ccccc1.
What is the InChIKey of 4-benzyl-N-[(1S)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is KYXZFYSBBKPXKZ-INIZCTEOSA-N. The full InChI is InChI=1S/C22H20N2OS/c1-16(18-10-6-3-7-11-18)23-22(25)20-14-21-19(12-13-26-21)24(20)15-17-8-4-2-5-9-17/h2-14,16H,15H2,1H3,(H,23,25)/t16-/m0/s1.
What are the key properties of 4-benzyl-N-[(1S)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide?
4-benzyl-N-[(1S)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 360.48 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-[(1S)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 51889638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).