(3R)-1-[[4-[(1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carbonyl)amino]phenyl]methyl]piperidine-3-carboxamide

C24H33N5O4S — CID 95249956

IUPAC(3R)-1-[[4-[(1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carbonyl)amino]phenyl]methyl]piperidine-3-carboxamide
SMILESCn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc(CN2CCC[C@@H](C(N)=O)C2)cc1
InChIInChI=1S/C24H33N5O4S/c1-27-17-21(34(32,33)29-12-3-2-4-13-29)14-22(27)24(31)26-20-9-7-18(8-10-20)15-28-11-5-6-19(16-28)23(25)30/h7-10,14,17,19H,2-6,11-13,15-16H2,1H3,(H2,25,30)(H,26,31)/t19-/m1/s1
InChIKeyGAFIQWCSINDZFC-LJQANCHMSA-N
MW487.63 g/mol
LogP2.15
Rot. Bonds7

About (3R)-1-[[4-[(1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carbonyl)amino]phenyl]methyl]piperidine-3-carboxamide

(3R)-1-[[4-[(1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carbonyl)amino]phenyl]methyl]piperidine-3-carboxamide (PubChem CID 95249956) has the molecular formula C24H33N5O4S and a molecular weight of 487.63 g/mol. Its IUPAC name is (3R)-1-[[4-[(1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carbonyl)amino]phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[[4-[(1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carbonyl)amino]phenyl]methyl]piperidine-3-carboxamide
PubChem CID95249956
Molecular FormulaC24H33N5O4S
Molecular Weight487.63 g/mol
Exact Mass487.23
IUPAC Name(3R)-1-[[4-[(1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carbonyl)amino]phenyl]methyl]piperidine-3-carboxamide
SMILESCn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc(CN2CCC[C@@H](C(N)=O)C2)cc1
InChIInChI=1S/C24H33N5O4S/c1-27-17-21(34(32,33)29-12-3-2-4-13-29)14-22(27)24(31)26-20-9-7-18(8-10-20)15-28-11-5-6-19(16-28)23(25)30/h7-10,14,17,19H,2-6,11-13,15-16H2,1H3,(H2,25,30)(H,26,31)/t19-/m1/s1
InChIKeyGAFIQWCSINDZFC-LJQANCHMSA-N
XLogP2.15
TPSA117.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.63
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3R)-1-[[4-[(1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carbonyl)amino]phenyl]methyl]piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(azepan-1-ylsulfonyl)-N-(4-ethylphenyl)-1-methylpyrrole-2-carboxamide
CID 53087324
1-[5-[(1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55971217
N-(4-chlorophenyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 17399030
1-[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]sulfonylpiperidine-3-carboxamide
CID 56808378
1-methyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 56577539
N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55715197
N-(4-tert-butylphenyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 27873802
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 55742784
N-(4-ethylphenyl)-1-methyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide
CID 53087257
N-[4-(azepan-1-ylsulfonyl)phenyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43925168
1-[[4-[(2-amino-2-methylpropanoyl)amino]phenyl]methyl]piperidine-3-carboxamide
CID 119872107
N-(3,5-dichlorophenyl)-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 55631483

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[[4-[(1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carbonyl)amino]phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[[4-[(1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carbonyl)amino]phenyl]methyl]piperidine-3-carboxamide (CID 95249956) is (3R)-1-[[4-[(1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carbonyl)amino]phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[[4-[(1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carbonyl)amino]phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[[4-[(1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carbonyl)amino]phenyl]methyl]piperidine-3-carboxamide is Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc(CN2CCC[C@@H](C(N)=O)C2)cc1.
What is the InChIKey of (3R)-1-[[4-[(1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carbonyl)amino]phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is GAFIQWCSINDZFC-LJQANCHMSA-N. The full InChI is InChI=1S/C24H33N5O4S/c1-27-17-21(34(32,33)29-12-3-2-4-13-29)14-22(27)24(31)26-20-9-7-18(8-10-20)15-28-11-5-6-19(16-28)23(25)30/h7-10,14,17,19H,2-6,11-13,15-16H2,1H3,(H2,25,30)(H,26,31)/t19-/m1/s1.
What are the key properties of (3R)-1-[[4-[(1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carbonyl)amino]phenyl]methyl]piperidine-3-carboxamide?
(3R)-1-[[4-[(1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carbonyl)amino]phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 487.63 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[[4-[(1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carbonyl)amino]phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 95249956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).