N-(2-chloro-4-methylphenyl)-1,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide

C20H26ClN3O3S — CID 53068968

IUPACN-(2-chloro-4-methylphenyl)-1,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)c(C)n2C)c(Cl)c1
InChIInChI=1S/C20H26ClN3O3S/c1-13-7-9-24(10-8-13)28(26,27)19-12-18(23(4)15(19)3)20(25)22-17-6-5-14(2)11-16(17)21/h5-6,11-13H,7-10H2,1-4H3,(H,22,25)
InChIKeyHVGNZXZBMSZYKX-UHFFFAOYSA-N
MW423.97 g/mol
LogP3.97
Rot. Bonds4

About N-(2-chloro-4-methylphenyl)-1,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide

N-(2-chloro-4-methylphenyl)-1,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide (PubChem CID 53068968) has the molecular formula C20H26ClN3O3S and a molecular weight of 423.97 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-1,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-1,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide
PubChem CID53068968
Molecular FormulaC20H26ClN3O3S
Molecular Weight423.97 g/mol
Exact Mass423.14
IUPAC NameN-(2-chloro-4-methylphenyl)-1,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)c(C)n2C)c(Cl)c1
InChIInChI=1S/C20H26ClN3O3S/c1-13-7-9-24(10-8-13)28(26,27)19-12-18(23(4)15(19)3)20(25)22-17-6-5-14(2)11-16(17)21/h5-6,11-13H,7-10H2,1-4H3,(H,22,25)
InChIKeyHVGNZXZBMSZYKX-UHFFFAOYSA-N
XLogP3.97
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.97
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dimethylphenyl)-1,5-dimethyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 53068882
N-(4-fluoro-2-methylphenyl)-1,5-dimethyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 53068913
N-(2,5-dimethylphenyl)-4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 46349313
[4-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-1,5-dimethylpyrrol-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 53068736
N-(2-chlorophenyl)-4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 46349295
[1,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrol-2-yl]-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone
CID 53068964
N-[4-methyl-2-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]sulfonylphenyl]acetamide
CID 46287370
N-(2-chloro-4-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 17469903
N-(2-chloro-4-methylphenyl)-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 18225328
N-cycloheptyl-1,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 53068779
1,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonyl-N-(1,6-naphthyridin-5-ylmethyl)pyrrole-2-carboxamide
CID 177323262
N-(2-chloro-4-methylphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26253473

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-1,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-1,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide (CID 53068968) is N-(2-chloro-4-methylphenyl)-1,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-1,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-1,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide is Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)c(C)n2C)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-1,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide?
The InChIKey is HVGNZXZBMSZYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3O3S/c1-13-7-9-24(10-8-13)28(26,27)19-12-18(23(4)15(19)3)20(25)22-17-6-5-14(2)11-16(17)21/h5-6,11-13H,7-10H2,1-4H3,(H,22,25).
What are the key properties of N-(2-chloro-4-methylphenyl)-1,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide?
N-(2-chloro-4-methylphenyl)-1,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide has a molecular weight of 423.97 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-1,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide is sourced from PubChem (CID 53068968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).