1-methyl-4-[4-(2-phenylpyrrolidine-1-carbonyl)piperidin-1-yl]sulfonylpyrrole-2-carboxamide

C22H28N4O4S — CID 24658235

IUPAC1-methyl-4-[4-(2-phenylpyrrolidine-1-carbonyl)piperidin-1-yl]sulfonylpyrrole-2-carboxamide
SMILESCn1cc(S(=O)(=O)N2CCC(C(=O)N3CCCC3c3ccccc3)CC2)cc1C(N)=O
InChIInChI=1S/C22H28N4O4S/c1-24-15-18(14-20(24)21(23)27)31(29,30)25-12-9-17(10-13-25)22(28)26-11-5-8-19(26)16-6-3-2-4-7-16/h2-4,6-7,14-15,17,19H,5,8-13H2,1H3,(H2,23,27)
InChIKeyPAYULXKOZWYCNT-UHFFFAOYSA-N
MW444.56 g/mol
LogP1.89
Rot. Bonds5

About 1-methyl-4-[4-(2-phenylpyrrolidine-1-carbonyl)piperidin-1-yl]sulfonylpyrrole-2-carboxamide

1-methyl-4-[4-(2-phenylpyrrolidine-1-carbonyl)piperidin-1-yl]sulfonylpyrrole-2-carboxamide (PubChem CID 24658235) has the molecular formula C22H28N4O4S and a molecular weight of 444.56 g/mol. Its IUPAC name is 1-methyl-4-[4-(2-phenylpyrrolidine-1-carbonyl)piperidin-1-yl]sulfonylpyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-4-[4-(2-phenylpyrrolidine-1-carbonyl)piperidin-1-yl]sulfonylpyrrole-2-carboxamide
PubChem CID24658235
Molecular FormulaC22H28N4O4S
Molecular Weight444.56 g/mol
Exact Mass444.18
IUPAC Name1-methyl-4-[4-(2-phenylpyrrolidine-1-carbonyl)piperidin-1-yl]sulfonylpyrrole-2-carboxamide
SMILESCn1cc(S(=O)(=O)N2CCC(C(=O)N3CCCC3c3ccccc3)CC2)cc1C(N)=O
InChIInChI=1S/C22H28N4O4S/c1-24-15-18(14-20(24)21(23)27)31(29,30)25-12-9-17(10-13-25)22(28)26-11-5-8-19(26)16-6-3-2-4-7-16/h2-4,6-7,14-15,17,19H,5,8-13H2,1H3,(H2,23,27)
InChIKeyPAYULXKOZWYCNT-UHFFFAOYSA-N
XLogP1.89
TPSA105.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.56
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-[(2S)-2-phenylpyrrolidin-1-yl]methanone
CID 41293701
1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylpyrrolidine-3-carboxylic acid
CID 63032539
1-methyl-4-[4-(morpholine-4-carbonyl)piperidin-1-yl]sulfonylpyrrole-2-carboxamide
CID 24563909
1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-pyridin-2-ylpiperidine-4-carboxamide
CID 24563945
[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-[(2S)-2-phenylpyrrolidin-1-yl]methanone
CID 41293895
1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-(2-phenoxyphenyl)piperidine-4-carboxamide
CID 24562977
1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 43036190
1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-(cyclopropylmethyl)piperidine-4-carboxamide
CID 24667159
4-[4-(1-aminoethyl)piperidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide;hydrochloride
CID 119974812
1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-(2-methylcyclohexyl)piperidine-4-carboxamide
CID 24563915
4-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide
CID 120766300
[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 37333249

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-(2-phenylpyrrolidine-1-carbonyl)piperidin-1-yl]sulfonylpyrrole-2-carboxamide?
The IUPAC name of 1-methyl-4-[4-(2-phenylpyrrolidine-1-carbonyl)piperidin-1-yl]sulfonylpyrrole-2-carboxamide (CID 24658235) is 1-methyl-4-[4-(2-phenylpyrrolidine-1-carbonyl)piperidin-1-yl]sulfonylpyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-4-[4-(2-phenylpyrrolidine-1-carbonyl)piperidin-1-yl]sulfonylpyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-4-[4-(2-phenylpyrrolidine-1-carbonyl)piperidin-1-yl]sulfonylpyrrole-2-carboxamide is Cn1cc(S(=O)(=O)N2CCC(C(=O)N3CCCC3c3ccccc3)CC2)cc1C(N)=O.
What is the InChIKey of 1-methyl-4-[4-(2-phenylpyrrolidine-1-carbonyl)piperidin-1-yl]sulfonylpyrrole-2-carboxamide?
The InChIKey is PAYULXKOZWYCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O4S/c1-24-15-18(14-20(24)21(23)27)31(29,30)25-12-9-17(10-13-25)22(28)26-11-5-8-19(26)16-6-3-2-4-7-16/h2-4,6-7,14-15,17,19H,5,8-13H2,1H3,(H2,23,27).
What are the key properties of 1-methyl-4-[4-(2-phenylpyrrolidine-1-carbonyl)piperidin-1-yl]sulfonylpyrrole-2-carboxamide?
1-methyl-4-[4-(2-phenylpyrrolidine-1-carbonyl)piperidin-1-yl]sulfonylpyrrole-2-carboxamide has a molecular weight of 444.56 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-(2-phenylpyrrolidine-1-carbonyl)piperidin-1-yl]sulfonylpyrrole-2-carboxamide is sourced from PubChem (CID 24658235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).