4-[[2-[ethylsulfonyl(2-methylpropyl)amino]acetyl]-[(4-methylphenyl)methyl]amino]-N,N-dimethylpiperidine-1-carboxamide

C24H40N4O4S — CID 46108588

IUPAC4-[[2-[ethylsulfonyl(2-methylpropyl)amino]acetyl]-[(4-methylphenyl)methyl]amino]-N,N-dimethylpiperidine-1-carboxamide
SMILESCCS(=O)(=O)N(CC(=O)N(Cc1ccc(C)cc1)C1CCN(C(=O)N(C)C)CC1)CC(C)C
InChIInChI=1S/C24H40N4O4S/c1-7-33(31,32)27(16-19(2)3)18-23(29)28(17-21-10-8-20(4)9-11-21)22-12-14-26(15-13-22)24(30)25(5)6/h8-11,19,22H,7,12-18H2,1-6H3
InChIKeyZEARFNGCVACLGB-UHFFFAOYSA-N
MW480.68 g/mol
LogP2.78
Rot. Bonds9

About 4-[[2-[ethylsulfonyl(2-methylpropyl)amino]acetyl]-[(4-methylphenyl)methyl]amino]-N,N-dimethylpiperidine-1-carboxamide

4-[[2-[ethylsulfonyl(2-methylpropyl)amino]acetyl]-[(4-methylphenyl)methyl]amino]-N,N-dimethylpiperidine-1-carboxamide (PubChem CID 46108588) has the molecular formula C24H40N4O4S and a molecular weight of 480.68 g/mol. Its IUPAC name is 4-[[2-[ethylsulfonyl(2-methylpropyl)amino]acetyl]-[(4-methylphenyl)methyl]amino]-N,N-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[[2-[ethylsulfonyl(2-methylpropyl)amino]acetyl]-[(4-methylphenyl)methyl]amino]-N,N-dimethylpiperidine-1-carboxamide
PubChem CID46108588
Molecular FormulaC24H40N4O4S
Molecular Weight480.68 g/mol
Exact Mass480.28
IUPAC Name4-[[2-[ethylsulfonyl(2-methylpropyl)amino]acetyl]-[(4-methylphenyl)methyl]amino]-N,N-dimethylpiperidine-1-carboxamide
SMILESCCS(=O)(=O)N(CC(=O)N(Cc1ccc(C)cc1)C1CCN(C(=O)N(C)C)CC1)CC(C)C
InChIInChI=1S/C24H40N4O4S/c1-7-33(31,32)27(16-19(2)3)18-23(29)28(17-21-10-8-20(4)9-11-21)22-12-14-26(15-13-22)24(30)25(5)6/h8-11,19,22H,7,12-18H2,1-6H3
InChIKeyZEARFNGCVACLGB-UHFFFAOYSA-N
XLogP2.78
TPSA81.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.68
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethylsulfonyl(2-methylpropyl)amino]-N-(1-ethylsulfonylpiperidin-4-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 46108642
N-[1-(2-ethylhexanoyl)piperidin-4-yl]-2-[ethylsulfonyl(2-methylpropyl)amino]-N-[(4-methylphenyl)methyl]acetamide
CID 42880648
N-[1-(3-cyclopentylpropanoyl)piperidin-4-yl]-2-[ethylsulfonyl(2-methylpropyl)amino]-N-[(4-methylphenyl)methyl]acetamide
CID 46108565
2-[ethylsulfonyl(2-methylpropyl)amino]-N-[(4-methylphenyl)methyl]-N-[1-(naphthalene-1-carbonyl)piperidin-4-yl]acetamide
CID 46108570
N-benzyl-N-[1-(cyclobutanecarbonyl)piperidin-4-yl]-2-[2-methylpropyl(propylsulfonyl)amino]acetamide
CID 46108298
N-benzyl-2-[2-methylpropyl(propylsulfonyl)amino]-N-(1-methylsulfonylpiperidin-4-yl)acetamide
CID 46108496
N-benzyl-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-[2-methylpropyl(propylsulfonyl)amino]acetamide
CID 46108294
N-benzyl-N-(1-benzylsulfonylpiperidin-4-yl)-2-[2-methylpropyl(propylsulfonyl)amino]acetamide
CID 46108494
2-[benzenesulfonyl(2-methoxyethyl)amino]-N-[(4-methylphenyl)methyl]-N-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide
CID 46108044
N-[1-[(2R)-2-chloropropanoyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-2-[propyl(propylsulfonyl)amino]acetamide
CID 93016440
N-(1-benzoylpiperidin-4-yl)-N-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonyl-propylamino]acetamide
CID 46107971
4-[[2-[benzenesulfonyl(propyl)amino]acetyl]-benzylamino]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 46108884

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[ethylsulfonyl(2-methylpropyl)amino]acetyl]-[(4-methylphenyl)methyl]amino]-N,N-dimethylpiperidine-1-carboxamide?
The IUPAC name of 4-[[2-[ethylsulfonyl(2-methylpropyl)amino]acetyl]-[(4-methylphenyl)methyl]amino]-N,N-dimethylpiperidine-1-carboxamide (CID 46108588) is 4-[[2-[ethylsulfonyl(2-methylpropyl)amino]acetyl]-[(4-methylphenyl)methyl]amino]-N,N-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[[2-[ethylsulfonyl(2-methylpropyl)amino]acetyl]-[(4-methylphenyl)methyl]amino]-N,N-dimethylpiperidine-1-carboxamide?
The canonical SMILES for 4-[[2-[ethylsulfonyl(2-methylpropyl)amino]acetyl]-[(4-methylphenyl)methyl]amino]-N,N-dimethylpiperidine-1-carboxamide is CCS(=O)(=O)N(CC(=O)N(Cc1ccc(C)cc1)C1CCN(C(=O)N(C)C)CC1)CC(C)C.
What is the InChIKey of 4-[[2-[ethylsulfonyl(2-methylpropyl)amino]acetyl]-[(4-methylphenyl)methyl]amino]-N,N-dimethylpiperidine-1-carboxamide?
The InChIKey is ZEARFNGCVACLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N4O4S/c1-7-33(31,32)27(16-19(2)3)18-23(29)28(17-21-10-8-20(4)9-11-21)22-12-14-26(15-13-22)24(30)25(5)6/h8-11,19,22H,7,12-18H2,1-6H3.
What are the key properties of 4-[[2-[ethylsulfonyl(2-methylpropyl)amino]acetyl]-[(4-methylphenyl)methyl]amino]-N,N-dimethylpiperidine-1-carboxamide?
4-[[2-[ethylsulfonyl(2-methylpropyl)amino]acetyl]-[(4-methylphenyl)methyl]amino]-N,N-dimethylpiperidine-1-carboxamide has a molecular weight of 480.68 g/mol, XLogP of 2.78, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[ethylsulfonyl(2-methylpropyl)amino]acetyl]-[(4-methylphenyl)methyl]amino]-N,N-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 46108588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).