N-benzyl-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide

C18H23N3O3S — CID 46422728

IUPACN-benzyl-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
SMILESCn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCc1ccccc1
InChIInChI=1S/C18H23N3O3S/c1-20-14-16(25(23,24)21-10-6-3-7-11-21)12-17(20)18(22)19-13-15-8-4-2-5-9-15/h2,4-5,8-9,12,14H,3,6-7,10-11,13H2,1H3,(H,19,22)
InChIKeyJKSYWXGRMDPUMM-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.13
Rot. Bonds5

About N-benzyl-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide

N-benzyl-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide (PubChem CID 46422728) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is N-benzyl-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
PubChem CID46422728
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC NameN-benzyl-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
SMILESCn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCc1ccccc1
InChIInChI=1S/C18H23N3O3S/c1-20-14-16(25(23,24)21-10-6-3-7-11-21)12-17(20)18(22)19-13-15-8-4-2-5-9-15/h2,4-5,8-9,12,14H,3,6-7,10-11,13H2,1H3,(H,19,22)
InChIKeyJKSYWXGRMDPUMM-UHFFFAOYSA-N
XLogP2.13
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-pyrrolidin-1-ylsulfonyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]pyrrole-2-carboxamide
CID 55737275
N-[(2-chlorophenyl)methyl]-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 53087222
1-methyl-4-piperidin-1-ylsulfonyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrrole-2-carboxamide
CID 46468442
1-methyl-4-piperidin-1-ylsulfonyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrrole-2-carboxamide
CID 46409954
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 55742784
1-methyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 37311695
1-methyl-N-(2-phenylbutyl)-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 51266579
1-methyl-4-morpholin-4-ylsulfonyl-N-(2-phenylethyl)pyrrole-2-carboxamide
CID 22519089
N-[(5-bromo-2-fluorophenyl)methyl]-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 55632423
N-(1-benzyl-1,2,4-triazol-3-yl)-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 55862882
1-methyl-4-piperidin-1-ylsulfonyl-N-(2-piperidin-1-ylsulfonylphenyl)pyrrole-2-carboxamide
CID 55919434
4-(azepan-1-ylsulfonyl)-N-(4-ethylphenyl)-1-methylpyrrole-2-carboxamide
CID 53087324

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide?
The IUPAC name of N-benzyl-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide (CID 46422728) is N-benzyl-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide.
What is the SMILES notation for N-benzyl-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide?
The canonical SMILES for N-benzyl-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide is Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide?
The InChIKey is JKSYWXGRMDPUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-20-14-16(25(23,24)21-10-6-3-7-11-21)12-17(20)18(22)19-13-15-8-4-2-5-9-15/h2,4-5,8-9,12,14H,3,6-7,10-11,13H2,1H3,(H,19,22).
What are the key properties of N-benzyl-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide?
N-benzyl-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide has a molecular weight of 361.47 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide is sourced from PubChem (CID 46422728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).