N-benzyl-1-cyclohexyl-N,2-dimethyl-5-(2-methyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide

C24H29N3OS — CID 134082483

IUPACN-benzyl-1-cyclohexyl-N,2-dimethyl-5-(2-methyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
SMILESCc1nc(-c2cc(C(=O)N(C)Cc3ccccc3)c(C)n2C2CCCCC2)cs1
InChIInChI=1S/C24H29N3OS/c1-17-21(24(28)26(3)15-19-10-6-4-7-11-19)14-23(22-16-29-18(2)25-22)27(17)20-12-8-5-9-13-20/h4,6-7,10-11,14,16,20H,5,8-9,12-13,15H2,1-3H3
InChIKeyMFZCPXNYIPMUJC-UHFFFAOYSA-N
MW407.58 g/mol
LogP6.01
Rot. Bonds5

About N-benzyl-1-cyclohexyl-N,2-dimethyl-5-(2-methyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide

N-benzyl-1-cyclohexyl-N,2-dimethyl-5-(2-methyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide (PubChem CID 134082483) has the molecular formula C24H29N3OS and a molecular weight of 407.58 g/mol. Its IUPAC name is N-benzyl-1-cyclohexyl-N,2-dimethyl-5-(2-methyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-cyclohexyl-N,2-dimethyl-5-(2-methyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
PubChem CID134082483
Molecular FormulaC24H29N3OS
Molecular Weight407.58 g/mol
Exact Mass407.20
IUPAC NameN-benzyl-1-cyclohexyl-N,2-dimethyl-5-(2-methyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
SMILESCc1nc(-c2cc(C(=O)N(C)Cc3ccccc3)c(C)n2C2CCCCC2)cs1
InChIInChI=1S/C24H29N3OS/c1-17-21(24(28)26(3)15-19-10-6-4-7-11-19)14-23(22-16-29-18(2)25-22)27(17)20-12-8-5-9-13-20/h4,6-7,10-11,14,16,20H,5,8-9,12-13,15H2,1-3H3
InChIKeyMFZCPXNYIPMUJC-UHFFFAOYSA-N
XLogP6.01
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.58
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-1-cyclohexyl-5-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N,2-dimethylpyrrole-3-carboxamide
CID 134082484
5-[2-[(2-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-1-cyclohexyl-N,N-diethyl-2-methylpyrrole-3-carboxamide
CID 134082530
5-[2-(benzylamino)-1,3-thiazol-4-yl]-1-cyclopropyl-2-methylpyrrole-3-carboxamide
CID 134082283
N-butyl-5-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-1-cyclohexyl-2-methylpyrrole-3-carboxamide
CID 58740306
4-(1-cyclohexyl-5-methyl-4-pent-1-en-2-ylpyrrol-2-yl)-2-(3-ethylphenyl)-1,3-thiazole;molecular hydrogen
CID 142919811
N-benzyl-2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-methylacetamide
CID 55375083
2-[benzyl(ethyl)amino]-1-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)ethanone
CID 110655093
N-benzyl-N,1,2,5-tetramethylpyrrole-3-carboxamide
CID 110691243
1-cyclopentyl-2-methyl-5-[2-(propylamino)-1,3-thiazol-4-yl]pyrrole-3-carboxamide
CID 134082343
2-[(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)-methylamino]acetic acid
CID 119172084
ethyl 1-[1-cyclohexyl-5-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-2-methylpyrrole-3-carbonyl]piperidine-4-carboxylate
CID 134082419
2-methyl-5-(2-methyl-1,3-thiazol-4-yl)-1-(2-phenylethyl)pyrrole-3-carboxamide
CID 3847884

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-cyclohexyl-N,2-dimethyl-5-(2-methyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide?
The IUPAC name of N-benzyl-1-cyclohexyl-N,2-dimethyl-5-(2-methyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide (CID 134082483) is N-benzyl-1-cyclohexyl-N,2-dimethyl-5-(2-methyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide.
What is the SMILES notation for N-benzyl-1-cyclohexyl-N,2-dimethyl-5-(2-methyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide?
The canonical SMILES for N-benzyl-1-cyclohexyl-N,2-dimethyl-5-(2-methyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide is Cc1nc(-c2cc(C(=O)N(C)Cc3ccccc3)c(C)n2C2CCCCC2)cs1.
What is the InChIKey of N-benzyl-1-cyclohexyl-N,2-dimethyl-5-(2-methyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide?
The InChIKey is MFZCPXNYIPMUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3OS/c1-17-21(24(28)26(3)15-19-10-6-4-7-11-19)14-23(22-16-29-18(2)25-22)27(17)20-12-8-5-9-13-20/h4,6-7,10-11,14,16,20H,5,8-9,12-13,15H2,1-3H3.
What are the key properties of N-benzyl-1-cyclohexyl-N,2-dimethyl-5-(2-methyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide?
N-benzyl-1-cyclohexyl-N,2-dimethyl-5-(2-methyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide has a molecular weight of 407.58 g/mol, XLogP of 6.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-cyclohexyl-N,2-dimethyl-5-(2-methyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide is sourced from PubChem (CID 134082483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).