1-methyl-4-piperidin-1-ylsulfonyl-N-(2-piperidin-1-ylsulfonylphenyl)pyrrole-2-carboxamide

C22H30N4O5S2 — CID 55919434

IUPAC1-methyl-4-piperidin-1-ylsulfonyl-N-(2-piperidin-1-ylsulfonylphenyl)pyrrole-2-carboxamide
SMILESCn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C22H30N4O5S2/c1-24-17-18(32(28,29)25-12-6-2-7-13-25)16-20(24)22(27)23-19-10-4-5-11-21(19)33(30,31)26-14-8-3-9-15-26/h4-5,10-11,16-17H,2-3,6-9,12-15H2,1H3,(H,23,27)
InChIKeyRDGMOTDOZXGXQU-UHFFFAOYSA-N
MW494.64 g/mol
LogP2.63
Rot. Bonds6

About 1-methyl-4-piperidin-1-ylsulfonyl-N-(2-piperidin-1-ylsulfonylphenyl)pyrrole-2-carboxamide

1-methyl-4-piperidin-1-ylsulfonyl-N-(2-piperidin-1-ylsulfonylphenyl)pyrrole-2-carboxamide (PubChem CID 55919434) has the molecular formula C22H30N4O5S2 and a molecular weight of 494.64 g/mol. Its IUPAC name is 1-methyl-4-piperidin-1-ylsulfonyl-N-(2-piperidin-1-ylsulfonylphenyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-4-piperidin-1-ylsulfonyl-N-(2-piperidin-1-ylsulfonylphenyl)pyrrole-2-carboxamide
PubChem CID55919434
Molecular FormulaC22H30N4O5S2
Molecular Weight494.64 g/mol
Exact Mass494.17
IUPAC Name1-methyl-4-piperidin-1-ylsulfonyl-N-(2-piperidin-1-ylsulfonylphenyl)pyrrole-2-carboxamide
SMILESCn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C22H30N4O5S2/c1-24-17-18(32(28,29)25-12-6-2-7-13-25)16-20(24)22(27)23-19-10-4-5-11-21(19)33(30,31)26-14-8-3-9-15-26/h4-5,10-11,16-17H,2-3,6-9,12-15H2,1H3,(H,23,27)
InChIKeyRDGMOTDOZXGXQU-UHFFFAOYSA-N
XLogP2.63
TPSA108.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.64
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-N-(1-methyl-2-oxo-3-pyridinyl)-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 75421055
1-methyl-N-[2-(N-methylanilino)phenyl]-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 55778849
N-[2-(ethoxymethyl)phenyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 86821808
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 55452760
N-(2-chlorophenyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 17425555
N-(3-acetamidophenyl)-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 46409717
4,5-dichloro-1-methyl-N-(2-piperidin-1-ylsulfonylphenyl)pyrrole-2-carboxamide
CID 55919824
N-(4-chloro-2-fluorophenyl)-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 53087240
4-(azepan-1-ylsulfonyl)-N-(4-ethylphenyl)-1-methylpyrrole-2-carboxamide
CID 53087324
N-(4-tert-butylphenyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 27873802
N-benzyl-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 46422728
N-tert-butyl-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 20969680

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-piperidin-1-ylsulfonyl-N-(2-piperidin-1-ylsulfonylphenyl)pyrrole-2-carboxamide?
The IUPAC name of 1-methyl-4-piperidin-1-ylsulfonyl-N-(2-piperidin-1-ylsulfonylphenyl)pyrrole-2-carboxamide (CID 55919434) is 1-methyl-4-piperidin-1-ylsulfonyl-N-(2-piperidin-1-ylsulfonylphenyl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-4-piperidin-1-ylsulfonyl-N-(2-piperidin-1-ylsulfonylphenyl)pyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-4-piperidin-1-ylsulfonyl-N-(2-piperidin-1-ylsulfonylphenyl)pyrrole-2-carboxamide is Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccccc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 1-methyl-4-piperidin-1-ylsulfonyl-N-(2-piperidin-1-ylsulfonylphenyl)pyrrole-2-carboxamide?
The InChIKey is RDGMOTDOZXGXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O5S2/c1-24-17-18(32(28,29)25-12-6-2-7-13-25)16-20(24)22(27)23-19-10-4-5-11-21(19)33(30,31)26-14-8-3-9-15-26/h4-5,10-11,16-17H,2-3,6-9,12-15H2,1H3,(H,23,27).
What are the key properties of 1-methyl-4-piperidin-1-ylsulfonyl-N-(2-piperidin-1-ylsulfonylphenyl)pyrrole-2-carboxamide?
1-methyl-4-piperidin-1-ylsulfonyl-N-(2-piperidin-1-ylsulfonylphenyl)pyrrole-2-carboxamide has a molecular weight of 494.64 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-piperidin-1-ylsulfonyl-N-(2-piperidin-1-ylsulfonylphenyl)pyrrole-2-carboxamide is sourced from PubChem (CID 55919434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).