N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide

C18H29N3O4S — CID 26744296

IUPACN-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
SMILESC[C@@H]1[C@H](C)CCC[C@H]1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C
InChIInChI=1S/C18H29N3O4S/c1-13-5-4-6-16(14(13)2)19-18(22)17-11-15(12-20(17)3)26(23,24)21-7-9-25-10-8-21/h11-14,16H,4-10H2,1-3H3,(H,19,22)/t13-,14-,16-/m1/s1
InChIKeyUEOICFQNELFYSY-IIAWOOMASA-N
MW383.51 g/mol
LogP1.60
Rot. Bonds4

About N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide

N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide (PubChem CID 26744296) has the molecular formula C18H29N3O4S and a molecular weight of 383.51 g/mol. Its IUPAC name is N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
PubChem CID26744296
Molecular FormulaC18H29N3O4S
Molecular Weight383.51 g/mol
Exact Mass383.19
IUPAC NameN-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
SMILESC[C@@H]1[C@H](C)CCC[C@H]1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C
InChIInChI=1S/C18H29N3O4S/c1-13-5-4-6-16(14(13)2)19-18(22)17-11-15(12-20(17)3)26(23,24)21-7-9-25-10-8-21/h11-14,16H,4-10H2,1-3H3,(H,19,22)/t13-,14-,16-/m1/s1
InChIKeyUEOICFQNELFYSY-IIAWOOMASA-N
XLogP1.60
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide with MolForge

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Related Compounds

N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 51548567
N-(2,3-dimethylcyclohexyl)-1-methyl-6-morpholin-4-ylsulfonyl-4-oxoquinoline-3-carboxamide
CID 20968769
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 11919996
N-tert-butyl-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 22519046
1-methyl-N-(2-methylpiperidin-3-yl)-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide;hydrochloride
CID 120575353
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-6-morpholin-4-ylsulfonyl-4-oxo-1H-quinoline-3-carboxamide
CID 124904503
N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 98518961
1-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 22576668
N-cyclohexyl-1-methyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide
CID 53087255
N-(2-aminoethyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 28818964
(2R)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-(4-morpholin-4-ylsulfonylphenoxy)propanamide
CID 11939287
N-butyl-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 17411212

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide?
The IUPAC name of N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide (CID 26744296) is N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide.
What is the SMILES notation for N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide?
The canonical SMILES for N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide is C[C@@H]1[C@H](C)CCC[C@H]1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C.
What is the InChIKey of N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide?
The InChIKey is UEOICFQNELFYSY-IIAWOOMASA-N. The full InChI is InChI=1S/C18H29N3O4S/c1-13-5-4-6-16(14(13)2)19-18(22)17-11-15(12-20(17)3)26(23,24)21-7-9-25-10-8-21/h11-14,16H,4-10H2,1-3H3,(H,19,22)/t13-,14-,16-/m1/s1.
What are the key properties of N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide?
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide has a molecular weight of 383.51 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide is sourced from PubChem (CID 26744296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).