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

C20H27N3O3S — CID 53087257

IUPACN-(4-ethylphenyl)-1-methyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide
SMILESCCc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)cn2C)cc1
InChIInChI=1S/C20H27N3O3S/c1-4-16-5-7-17(8-6-16)21-20(24)19-13-18(14-22(19)3)27(25,26)23-11-9-15(2)10-12-23/h5-8,13-15H,4,9-12H2,1-3H3,(H,21,24)
InChIKeyDTMCAAQXYYYHEQ-UHFFFAOYSA-N
MW389.52 g/mol
LogP3.26
Rot. Bonds5

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

N-(4-ethylphenyl)-1-methyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide (PubChem CID 53087257) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is N-(4-ethylphenyl)-1-methyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-1-methyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide
PubChem CID53087257
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC NameN-(4-ethylphenyl)-1-methyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide
SMILESCCc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)cn2C)cc1
InChIInChI=1S/C20H27N3O3S/c1-4-16-5-7-17(8-6-16)21-20(24)19-13-18(14-22(19)3)27(25,26)23-11-9-15(2)10-12-23/h5-8,13-15H,4,9-12H2,1-3H3,(H,21,24)
InChIKeyDTMCAAQXYYYHEQ-UHFFFAOYSA-N
XLogP3.26
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(azepan-1-ylsulfonyl)-N-(4-ethylphenyl)-1-methylpyrrole-2-carboxamide
CID 53087324
1-methyl-4-(4-methylpiperidin-1-yl)sulfonyl-N-phenylpyrrole-2-carboxamide
CID 53087280
1-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 22576668
N-(4-ethylphenyl)-2-fluoro-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 3702946
ethyl 4-[[1-methyl-4-[(3S)-3-methylpiperidin-1-yl]sulfonylpyrrole-2-carbonyl]amino]benzoate
CID 93059386
N-(4-chlorophenyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 17399030
N-(4-tert-butylphenyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 27873802
N-cyclohexyl-1-methyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide
CID 53087255
(3R)-1-[[4-[(1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carbonyl)amino]phenyl]methyl]piperidine-3-carboxamide
CID 95249956
1-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 27896718
N-[4-[ethyl(propan-2-yl)amino]phenyl]-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 46410219
1-methyl-4-(4-methylazepan-1-yl)sulfonylpyrrole-2-carboxylic acid
CID 63623741

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-1-methyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-1-methyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide (CID 53087257) is N-(4-ethylphenyl)-1-methyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-1-methyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-1-methyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide is CCc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)cn2C)cc1.
What is the InChIKey of N-(4-ethylphenyl)-1-methyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide?
The InChIKey is DTMCAAQXYYYHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-4-16-5-7-17(8-6-16)21-20(24)19-13-18(14-22(19)3)27(25,26)23-11-9-15(2)10-12-23/h5-8,13-15H,4,9-12H2,1-3H3,(H,21,24).
What are the key properties of N-(4-ethylphenyl)-1-methyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide?
N-(4-ethylphenyl)-1-methyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide has a molecular weight of 389.52 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-1-methyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide is sourced from PubChem (CID 53087257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).