N-benzyl-N-methyl-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide

C18H23N3O3S — CID 22551857

IUPACN-benzyl-N-methyl-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cc(S(=O)(=O)N2CCCCC2)c[nH]1
InChIInChI=1S/C18H23N3O3S/c1-20(14-15-8-4-2-5-9-15)18(22)17-12-16(13-19-17)25(23,24)21-10-6-3-7-11-21/h2,4-5,8-9,12-13,19H,3,6-7,10-11,14H2,1H3
InChIKeyZZCSSVALYRCFSS-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.46
Rot. Bonds5

About N-benzyl-N-methyl-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide

N-benzyl-N-methyl-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide (PubChem CID 22551857) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is N-benzyl-N-methyl-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide
PubChem CID22551857
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC NameN-benzyl-N-methyl-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cc(S(=O)(=O)N2CCCCC2)c[nH]1
InChIInChI=1S/C18H23N3O3S/c1-20(14-15-8-4-2-5-9-15)18(22)17-12-16(13-19-17)25(23,24)21-10-6-3-7-11-21/h2,4-5,8-9,12-13,19H,3,6-7,10-11,14H2,1H3
InChIKeyZZCSSVALYRCFSS-UHFFFAOYSA-N
XLogP2.46
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide?
The IUPAC name of N-benzyl-N-methyl-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide (CID 22551857) is N-benzyl-N-methyl-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-benzyl-N-methyl-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-benzyl-N-methyl-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide is CN(Cc1ccccc1)C(=O)c1cc(S(=O)(=O)N2CCCCC2)c[nH]1.
What is the InChIKey of N-benzyl-N-methyl-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide?
The InChIKey is ZZCSSVALYRCFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-20(14-15-8-4-2-5-9-15)18(22)17-12-16(13-19-17)25(23,24)21-10-6-3-7-11-21/h2,4-5,8-9,12-13,19H,3,6-7,10-11,14H2,1H3.
What are the key properties of N-benzyl-N-methyl-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide?
N-benzyl-N-methyl-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide has a molecular weight of 361.47 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 22551857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).