N-cyclohexyl-1-methyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide

C18H29N3O3S — CID 53087255

IUPACN-cyclohexyl-1-methyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide
SMILESCC1CCN(S(=O)(=O)c2cc(C(=O)NC3CCCCC3)n(C)c2)CC1
InChIInChI=1S/C18H29N3O3S/c1-14-8-10-21(11-9-14)25(23,24)16-12-17(20(2)13-16)18(22)19-15-6-4-3-5-7-15/h12-15H,3-11H2,1-2H3,(H,19,22)
InChIKeyOZOYIHCMMAQXDM-UHFFFAOYSA-N
MW367.52 g/mol
LogP2.51
Rot. Bonds4

About N-cyclohexyl-1-methyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide

N-cyclohexyl-1-methyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide (PubChem CID 53087255) has the molecular formula C18H29N3O3S and a molecular weight of 367.52 g/mol. Its IUPAC name is N-cyclohexyl-1-methyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-methyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide
PubChem CID53087255
Molecular FormulaC18H29N3O3S
Molecular Weight367.52 g/mol
Exact Mass367.19
IUPAC NameN-cyclohexyl-1-methyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide
SMILESCC1CCN(S(=O)(=O)c2cc(C(=O)NC3CCCCC3)n(C)c2)CC1
InChIInChI=1S/C18H29N3O3S/c1-14-8-10-21(11-9-14)25(23,24)16-12-17(20(2)13-16)18(22)19-15-6-4-3-5-7-15/h12-15H,3-11H2,1-2H3,(H,19,22)
InChIKeyOZOYIHCMMAQXDM-UHFFFAOYSA-N
XLogP2.51
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119230351
1-methyl-4-piperidin-1-ylsulfonyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide
CID 119450319
N-(1-cyclopropylpiperidin-4-yl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 55560394
1-methyl-4-(4-methylazepan-1-yl)sulfonylpyrrole-2-carboxylic acid
CID 63623741
1-methyl-4-(4-methylpiperidin-1-yl)sulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrole-2-carboxamide
CID 53087272
1-methyl-4-(4-methylpiperidin-1-yl)sulfonyl-N-phenylpyrrole-2-carboxamide
CID 53087280
N-cyclopentyl-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
CID 34366355
2-chloro-N-cyclohexyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 28591311
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 51548567
N-(4-ethylphenyl)-1-methyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide
CID 53087257
1-methyl-N-(2-methylpiperidin-3-yl)-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide;hydrochloride
CID 120575353
N-(1-methylpiperidin-4-yl)-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 50947164

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-methyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide?
The IUPAC name of N-cyclohexyl-1-methyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide (CID 53087255) is N-cyclohexyl-1-methyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-methyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide?
The canonical SMILES for N-cyclohexyl-1-methyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide is CC1CCN(S(=O)(=O)c2cc(C(=O)NC3CCCCC3)n(C)c2)CC1.
What is the InChIKey of N-cyclohexyl-1-methyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide?
The InChIKey is OZOYIHCMMAQXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3S/c1-14-8-10-21(11-9-14)25(23,24)16-12-17(20(2)13-16)18(22)19-15-6-4-3-5-7-15/h12-15H,3-11H2,1-2H3,(H,19,22).
What are the key properties of N-cyclohexyl-1-methyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide?
N-cyclohexyl-1-methyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide has a molecular weight of 367.52 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-methyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide is sourced from PubChem (CID 53087255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).