N-(2-methoxyphenyl)-3,5-dimethyl-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide

C19H25N3O4S — CID 53059485

IUPACN-(2-methoxyphenyl)-3,5-dimethyl-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1[nH]c(C)c(S(=O)(=O)N2CCCCC2)c1C
InChIInChI=1S/C19H25N3O4S/c1-13-17(19(23)21-15-9-5-6-10-16(15)26-3)20-14(2)18(13)27(24,25)22-11-7-4-8-12-22/h5-6,9-10,20H,4,7-8,11-12H2,1-3H3,(H,21,23)
InChIKeyITUHIYZZYUBPRF-UHFFFAOYSA-N
MW391.49 g/mol
LogP3.07
Rot. Bonds5

About N-(2-methoxyphenyl)-3,5-dimethyl-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide

N-(2-methoxyphenyl)-3,5-dimethyl-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide (PubChem CID 53059485) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-3,5-dimethyl-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-3,5-dimethyl-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide
PubChem CID53059485
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC NameN-(2-methoxyphenyl)-3,5-dimethyl-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1[nH]c(C)c(S(=O)(=O)N2CCCCC2)c1C
InChIInChI=1S/C19H25N3O4S/c1-13-17(19(23)21-15-9-5-6-10-16(15)26-3)20-14(2)18(13)27(24,25)22-11-7-4-8-12-22/h5-6,9-10,20H,4,7-8,11-12H2,1-3H3,(H,21,23)
InChIKeyITUHIYZZYUBPRF-UHFFFAOYSA-N
XLogP3.07
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluoro-2-methylphenyl)-3,5-dimethyl-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 53005325
4-(azepan-1-ylsulfonyl)-N-(4-chloro-2-methylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 53059664
4-(azepan-1-ylsulfonyl)-N-(3,5-dimethylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 53059704
N-(3-bromophenyl)-3,5-dimethyl-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 53005326
N-(3-methoxyphenyl)-3,5-dimethyl-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 53059573
N-(2-methoxyphenyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxamide
CID 42654998
N-(2-methoxyphenyl)-3-methyl-1H-indole-2-carboxamide
CID 113204283
N-(2-methoxyphenyl)-2-(methylamino)-5-piperidin-1-ylsulfonylbenzamide
CID 146301697
5-(azepan-1-ylsulfonyl)-2-methoxy-N-(2-methylphenyl)benzamide
CID 7946811
N-(2-methoxyphenyl)-2-(4-piperidin-1-ylsulfonylanilino)acetamide
CID 9083951
3-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)-N-(2-methoxyphenyl)propanamide
CID 50794574
4-(azepan-1-ylsulfonyl)-3,5-dimethyl-N-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrrole-2-carboxamide
CID 53059735

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-3,5-dimethyl-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-3,5-dimethyl-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide (CID 53059485) is N-(2-methoxyphenyl)-3,5-dimethyl-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-3,5-dimethyl-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-3,5-dimethyl-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide is COc1ccccc1NC(=O)c1[nH]c(C)c(S(=O)(=O)N2CCCCC2)c1C.
What is the InChIKey of N-(2-methoxyphenyl)-3,5-dimethyl-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide?
The InChIKey is ITUHIYZZYUBPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-13-17(19(23)21-15-9-5-6-10-16(15)26-3)20-14(2)18(13)27(24,25)22-11-7-4-8-12-22/h5-6,9-10,20H,4,7-8,11-12H2,1-3H3,(H,21,23).
What are the key properties of N-(2-methoxyphenyl)-3,5-dimethyl-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide?
N-(2-methoxyphenyl)-3,5-dimethyl-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide has a molecular weight of 391.49 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-3,5-dimethyl-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 53059485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).