N-[(4-methylphenyl)methyl]-1-[[5-(4-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]piperidine-3-carboxamide

C25H34N4O4S — CID 53028709

IUPACN-[(4-methylphenyl)methyl]-1-[[5-(4-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]piperidine-3-carboxamide
SMILESCc1ccc(CNC(=O)C2CCCN(S(=O)(=O)c3c[nH]c(C(=O)N4CCC(C)CC4)c3)C2)cc1
InChIInChI=1S/C25H34N4O4S/c1-18-5-7-20(8-6-18)15-27-24(30)21-4-3-11-29(17-21)34(32,33)22-14-23(26-16-22)25(31)28-12-9-19(2)10-13-28/h5-8,14,16,19,21,26H,3-4,9-13,15,17H2,1-2H3,(H,27,30)
InChIKeyFOWCVVGZFRCYSJ-UHFFFAOYSA-N
MW486.64 g/mol
LogP2.91
Rot. Bonds6

About N-[(4-methylphenyl)methyl]-1-[[5-(4-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]piperidine-3-carboxamide

N-[(4-methylphenyl)methyl]-1-[[5-(4-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]piperidine-3-carboxamide (PubChem CID 53028709) has the molecular formula C25H34N4O4S and a molecular weight of 486.64 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-1-[[5-(4-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-1-[[5-(4-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]piperidine-3-carboxamide
PubChem CID53028709
Molecular FormulaC25H34N4O4S
Molecular Weight486.64 g/mol
Exact Mass486.23
IUPAC NameN-[(4-methylphenyl)methyl]-1-[[5-(4-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]piperidine-3-carboxamide
SMILESCc1ccc(CNC(=O)C2CCCN(S(=O)(=O)c3c[nH]c(C(=O)N4CCC(C)CC4)c3)C2)cc1
InChIInChI=1S/C25H34N4O4S/c1-18-5-7-20(8-6-18)15-27-24(30)21-4-3-11-29(17-21)34(32,33)22-14-23(26-16-22)25(31)28-12-9-19(2)10-13-28/h5-8,14,16,19,21,26H,3-4,9-13,15,17H2,1-2H3,(H,27,30)
InChIKeyFOWCVVGZFRCYSJ-UHFFFAOYSA-N
XLogP2.91
TPSA102.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.64
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(4-methylphenyl)methyl]-1-[[5-(4-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]piperidine-3-carboxamide with MolForge

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Related Compounds

1-[[5-(azepane-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 53079217
(3S)-N-(4-methylphenyl)-1-[[5-(4-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]piperidine-3-carboxamide
CID 93058474
N-[(4-fluorophenyl)methyl]-1-[[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]piperidine-3-carboxamide
CID 53079181
(3S)-N-benzyl-1-[[5-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]piperidine-3-carboxamide
CID 93058426
(3R)-N-(4-ethylphenyl)-1-[[5-(4-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]piperidine-3-carboxamide
CID 93058445
(3R)-N-[(2-methylphenyl)methyl]-1-[[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]piperidine-3-carboxamide
CID 97044170
N-(4-methylphenyl)-1-[[5-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]piperidine-3-carboxamide
CID 53028694
1-[[5-(azepane-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]-N-ethylpiperidine-3-carboxamide
CID 53079224
(3R)-1-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 1081586
N-(3-chlorophenyl)-1-[[5-(4-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]piperidine-3-carboxamide
CID 53028700
(3R)-N-(3-chlorophenyl)-1-[[5-(4-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]piperidine-3-carboxamide
CID 93058436
(3R)-1-[[5-(azepane-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 97044232

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-1-[[5-(4-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]piperidine-3-carboxamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-1-[[5-(4-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]piperidine-3-carboxamide (CID 53028709) is N-[(4-methylphenyl)methyl]-1-[[5-(4-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-1-[[5-(4-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]piperidine-3-carboxamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-1-[[5-(4-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]piperidine-3-carboxamide is Cc1ccc(CNC(=O)C2CCCN(S(=O)(=O)c3c[nH]c(C(=O)N4CCC(C)CC4)c3)C2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-1-[[5-(4-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]piperidine-3-carboxamide?
The InChIKey is FOWCVVGZFRCYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O4S/c1-18-5-7-20(8-6-18)15-27-24(30)21-4-3-11-29(17-21)34(32,33)22-14-23(26-16-22)25(31)28-12-9-19(2)10-13-28/h5-8,14,16,19,21,26H,3-4,9-13,15,17H2,1-2H3,(H,27,30).
What are the key properties of N-[(4-methylphenyl)methyl]-1-[[5-(4-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]piperidine-3-carboxamide?
N-[(4-methylphenyl)methyl]-1-[[5-(4-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]piperidine-3-carboxamide has a molecular weight of 486.64 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-1-[[5-(4-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]piperidine-3-carboxamide is sourced from PubChem (CID 53028709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).