(3S)-N-(2-carbamoylphenyl)-1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide

C24H28N4O5S — CID 40965754

IUPAC(3S)-N-(2-carbamoylphenyl)-1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCC1CCN(S(=O)(=O)c2ccc(N3C[C@@H](C(=O)Nc4ccccc4C(N)=O)CC3=O)cc2)CC1
InChIInChI=1S/C24H28N4O5S/c1-16-10-12-27(13-11-16)34(32,33)19-8-6-18(7-9-19)28-15-17(14-22(28)29)24(31)26-21-5-3-2-4-20(21)23(25)30/h2-9,16-17H,10-15H2,1H3,(H2,25,30)(H,26,31)/t17-/m0/s1
InChIKeyWGXTYDAXWXFLHP-KRWDZBQOSA-N
MW484.58 g/mol
LogP2.20
Rot. Bonds6

About (3S)-N-(2-carbamoylphenyl)-1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide

(3S)-N-(2-carbamoylphenyl)-1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 40965754) has the molecular formula C24H28N4O5S and a molecular weight of 484.58 g/mol. Its IUPAC name is (3S)-N-(2-carbamoylphenyl)-1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2-carbamoylphenyl)-1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID40965754
Molecular FormulaC24H28N4O5S
Molecular Weight484.58 g/mol
Exact Mass484.18
IUPAC Name(3S)-N-(2-carbamoylphenyl)-1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCC1CCN(S(=O)(=O)c2ccc(N3C[C@@H](C(=O)Nc4ccccc4C(N)=O)CC3=O)cc2)CC1
InChIInChI=1S/C24H28N4O5S/c1-16-10-12-27(13-11-16)34(32,33)19-8-6-18(7-9-19)28-15-17(14-22(28)29)24(31)26-21-5-3-2-4-20(21)23(25)30/h2-9,16-17H,10-15H2,1H3,(H2,25,30)(H,26,31)/t17-/m0/s1
InChIKeyWGXTYDAXWXFLHP-KRWDZBQOSA-N
XLogP2.20
TPSA129.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.58
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide
CID 91681503
(3S)-N-(cyanomethyl)-1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide
CID 9402641
N-(2-carbamoylphenyl)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17082354
(3S)-N-(2-carbamoylphenyl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7425511
1-(3-chloro-4-fluorophenyl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide
CID 17225493
(3R)-N-(2-carbamoylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 9401166
1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]piperidine-4-carboxamide
CID 17081884
N-(2-fluorophenyl)-1-[4-(4-methylpiperidin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 113189954
(3R)-N-(4-hydroxyphenyl)-5-oxo-1-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide
CID 51720680
(3S)-1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-oxo-N-(3-propan-2-yloxypropyl)pyrrolidine-3-carboxamide
CID 40932489
(3S)-1-[4-(azepan-1-ylsulfonyl)phenyl]-N-cyclopropyl-5-oxopyrrolidine-3-carboxamide
CID 51717969
(3R)-N-(6-methyl-2-pyridinyl)-5-oxo-1-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide
CID 51719157

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-carbamoylphenyl)-1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-(2-carbamoylphenyl)-1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide (CID 40965754) is (3S)-N-(2-carbamoylphenyl)-1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(2-carbamoylphenyl)-1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-(2-carbamoylphenyl)-1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide is CC1CCN(S(=O)(=O)c2ccc(N3C[C@@H](C(=O)Nc4ccccc4C(N)=O)CC3=O)cc2)CC1.
What is the InChIKey of (3S)-N-(2-carbamoylphenyl)-1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is WGXTYDAXWXFLHP-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H28N4O5S/c1-16-10-12-27(13-11-16)34(32,33)19-8-6-18(7-9-19)28-15-17(14-22(28)29)24(31)26-21-5-3-2-4-20(21)23(25)30/h2-9,16-17H,10-15H2,1H3,(H2,25,30)(H,26,31)/t17-/m0/s1.
What are the key properties of (3S)-N-(2-carbamoylphenyl)-1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide?
(3S)-N-(2-carbamoylphenyl)-1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 484.58 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2-carbamoylphenyl)-1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 40965754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).