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

C24H24N2OS — CID 92987288

IUPACN-benzyl-N,2-dimethyl-4-[(1R)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide
SMILESCc1cc2c(cc(C(=O)N(C)Cc3ccccc3)n2[C@H](C)c2ccccc2)s1
InChIInChI=1S/C24H24N2OS/c1-17-14-21-23(28-17)15-22(26(21)18(2)20-12-8-5-9-13-20)24(27)25(3)16-19-10-6-4-7-11-19/h4-15,18H,16H2,1-3H3/t18-/m1/s1
InChIKeyHAGRVMNHDPIKFF-GOSISDBHSA-N
MW388.54 g/mol
LogP5.89
Rot. Bonds5

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

N-benzyl-N,2-dimethyl-4-[(1R)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 92987288) has the molecular formula C24H24N2OS and a molecular weight of 388.54 g/mol. Its IUPAC name is N-benzyl-N,2-dimethyl-4-[(1R)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-N,2-dimethyl-4-[(1R)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide
PubChem CID92987288
Molecular FormulaC24H24N2OS
Molecular Weight388.54 g/mol
Exact Mass388.16
IUPAC NameN-benzyl-N,2-dimethyl-4-[(1R)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide
SMILESCc1cc2c(cc(C(=O)N(C)Cc3ccccc3)n2[C@H](C)c2ccccc2)s1
InChIInChI=1S/C24H24N2OS/c1-17-14-21-23(28-17)15-22(26(21)18(2)20-12-8-5-9-13-20)24(27)25(3)16-19-10-6-4-7-11-19/h4-15,18H,16H2,1-3H3/t18-/m1/s1
InChIKeyHAGRVMNHDPIKFF-GOSISDBHSA-N
XLogP5.89
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.54
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-4-[(2-fluorophenyl)methyl]-N,2-dimethylthieno[3,2-b]pyrrole-5-carboxamide
CID 46039387
ethyl (3R)-1-[2-methyl-4-[(1R)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carbonyl]piperidine-3-carboxylate
CID 92987285
N-benzyl-N-methyl-5-oxo-1,2-dihydropyrazole-3-carboxamide
CID 112513822
N-benzyl-N,2,5-trimethylpyrazole-3-carboxamide
CID 112513798
4-benzyl-N-ethyl-2-methylthieno[3,2-b]pyrrole-5-carboxamide
CID 46039431
N-benzyl-N,3-dimethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
CID 110384800
N-benzyl-N,4,5-trimethylfuran-2-carboxamide
CID 110697616
N-benzyl-N-methyl-4-oxo-2,3-diphenylbutanamide
CID 163377697
N-benzyl-3-bromo-N-methyl-4-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide
CID 42848840
N-(furan-2-ylmethyl)-N,2,5-trimethyl-1-(1-phenylethyl)pyrrole-3-carboxamide
CID 112819737
N-benzyl-N-methyl-1-propan-2-ylbenzimidazole-5-carboxamide
CID 110765703
3-amino-N-benzyl-N-methyl-2-phenylpropanamide
CID 62878331

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N,2-dimethyl-4-[(1R)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of N-benzyl-N,2-dimethyl-4-[(1R)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide (CID 92987288) is N-benzyl-N,2-dimethyl-4-[(1R)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for N-benzyl-N,2-dimethyl-4-[(1R)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for N-benzyl-N,2-dimethyl-4-[(1R)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide is Cc1cc2c(cc(C(=O)N(C)Cc3ccccc3)n2[C@H](C)c2ccccc2)s1.
What is the InChIKey of N-benzyl-N,2-dimethyl-4-[(1R)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is HAGRVMNHDPIKFF-GOSISDBHSA-N. The full InChI is InChI=1S/C24H24N2OS/c1-17-14-21-23(28-17)15-22(26(21)18(2)20-12-8-5-9-13-20)24(27)25(3)16-19-10-6-4-7-11-19/h4-15,18H,16H2,1-3H3/t18-/m1/s1.
What are the key properties of N-benzyl-N,2-dimethyl-4-[(1R)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide?
N-benzyl-N,2-dimethyl-4-[(1R)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 388.54 g/mol, XLogP of 5.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N,2-dimethyl-4-[(1R)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 92987288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).