N-cyclopropyl-1-methyl-4-piperidin-1-ylsulfonyl-N-[(4-propan-2-ylphenyl)methyl]pyrrole-2-carboxamide

C24H33N3O3S — CID 55633668

IUPACN-cyclopropyl-1-methyl-4-piperidin-1-ylsulfonyl-N-[(4-propan-2-ylphenyl)methyl]pyrrole-2-carboxamide
SMILESCC(C)c1ccc(CN(C(=O)c2cc(S(=O)(=O)N3CCCCC3)cn2C)C2CC2)cc1
InChIInChI=1S/C24H33N3O3S/c1-18(2)20-9-7-19(8-10-20)16-27(21-11-12-21)24(28)23-15-22(17-25(23)3)31(29,30)26-13-5-4-6-14-26/h7-10,15,17-18,21H,4-6,11-14,16H2,1-3H3
InChIKeyLOQNPYUGVZTVSU-UHFFFAOYSA-N
MW443.61 g/mol
LogP4.13
Rot. Bonds7

About N-cyclopropyl-1-methyl-4-piperidin-1-ylsulfonyl-N-[(4-propan-2-ylphenyl)methyl]pyrrole-2-carboxamide

N-cyclopropyl-1-methyl-4-piperidin-1-ylsulfonyl-N-[(4-propan-2-ylphenyl)methyl]pyrrole-2-carboxamide (PubChem CID 55633668) has the molecular formula C24H33N3O3S and a molecular weight of 443.61 g/mol. Its IUPAC name is N-cyclopropyl-1-methyl-4-piperidin-1-ylsulfonyl-N-[(4-propan-2-ylphenyl)methyl]pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-methyl-4-piperidin-1-ylsulfonyl-N-[(4-propan-2-ylphenyl)methyl]pyrrole-2-carboxamide
PubChem CID55633668
Molecular FormulaC24H33N3O3S
Molecular Weight443.61 g/mol
Exact Mass443.22
IUPAC NameN-cyclopropyl-1-methyl-4-piperidin-1-ylsulfonyl-N-[(4-propan-2-ylphenyl)methyl]pyrrole-2-carboxamide
SMILESCC(C)c1ccc(CN(C(=O)c2cc(S(=O)(=O)N3CCCCC3)cn2C)C2CC2)cc1
InChIInChI=1S/C24H33N3O3S/c1-18(2)20-9-7-19(8-10-20)16-27(21-11-12-21)24(28)23-15-22(17-25(23)3)31(29,30)26-13-5-4-6-14-26/h7-10,15,17-18,21H,4-6,11-14,16H2,1-3H3
InChIKeyLOQNPYUGVZTVSU-UHFFFAOYSA-N
XLogP4.13
TPSA62.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.61
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclohexylmethyl)-N-cyclopropyl-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 87028777
N-cyclopropyl-1-(1-methylpyrrol-3-yl)sulfonyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide
CID 25472551
1-methyl-4-piperidin-1-ylsulfonyl-N-propyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide
CID 119530376
N-[1-(3-chlorophenyl)ethyl]-N,1-dimethyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 55632246
N-cyclohexyl-4-(diethylsulfamoyl)-N-[(4-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide
CID 34134358
1-methyl-3-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1-[(4-propan-2-ylphenyl)methyl]urea
CID 41219708
1-methyl-4-pyrrolidin-1-ylsulfonyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]pyrrole-2-carboxamide
CID 55737275
N-cyclopropyl-1-methylsulfonyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide
CID 24603644
N-butyl-N-(1,1-dioxothiolan-3-yl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 55508029
N-ethyl-1-methyl-N-phenyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 18102236
N-(3-amino-2,2-dimethylpropyl)-N,1-dimethyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 119653220
N-benzyl-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 46422728

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-methyl-4-piperidin-1-ylsulfonyl-N-[(4-propan-2-ylphenyl)methyl]pyrrole-2-carboxamide?
The IUPAC name of N-cyclopropyl-1-methyl-4-piperidin-1-ylsulfonyl-N-[(4-propan-2-ylphenyl)methyl]pyrrole-2-carboxamide (CID 55633668) is N-cyclopropyl-1-methyl-4-piperidin-1-ylsulfonyl-N-[(4-propan-2-ylphenyl)methyl]pyrrole-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-methyl-4-piperidin-1-ylsulfonyl-N-[(4-propan-2-ylphenyl)methyl]pyrrole-2-carboxamide?
The canonical SMILES for N-cyclopropyl-1-methyl-4-piperidin-1-ylsulfonyl-N-[(4-propan-2-ylphenyl)methyl]pyrrole-2-carboxamide is CC(C)c1ccc(CN(C(=O)c2cc(S(=O)(=O)N3CCCCC3)cn2C)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-1-methyl-4-piperidin-1-ylsulfonyl-N-[(4-propan-2-ylphenyl)methyl]pyrrole-2-carboxamide?
The InChIKey is LOQNPYUGVZTVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3S/c1-18(2)20-9-7-19(8-10-20)16-27(21-11-12-21)24(28)23-15-22(17-25(23)3)31(29,30)26-13-5-4-6-14-26/h7-10,15,17-18,21H,4-6,11-14,16H2,1-3H3.
What are the key properties of N-cyclopropyl-1-methyl-4-piperidin-1-ylsulfonyl-N-[(4-propan-2-ylphenyl)methyl]pyrrole-2-carboxamide?
N-cyclopropyl-1-methyl-4-piperidin-1-ylsulfonyl-N-[(4-propan-2-ylphenyl)methyl]pyrrole-2-carboxamide has a molecular weight of 443.61 g/mol, XLogP of 4.13, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-methyl-4-piperidin-1-ylsulfonyl-N-[(4-propan-2-ylphenyl)methyl]pyrrole-2-carboxamide is sourced from PubChem (CID 55633668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).