2-[ethylsulfonyl(propyl)amino]-N-[1-(3-methylbutanoyl)piperidin-4-yl]-N-[(2-methylphenyl)methyl]acetamide

C25H41N3O4S — CID 46108870

IUPAC2-[ethylsulfonyl(propyl)amino]-N-[1-(3-methylbutanoyl)piperidin-4-yl]-N-[(2-methylphenyl)methyl]acetamide
SMILESCCCN(CC(=O)N(Cc1ccccc1C)C1CCN(C(=O)CC(C)C)CC1)S(=O)(=O)CC
InChIInChI=1S/C25H41N3O4S/c1-6-14-27(33(31,32)7-2)19-25(30)28(18-22-11-9-8-10-21(22)5)23-12-15-26(16-13-23)24(29)17-20(3)4/h8-11,20,23H,6-7,12-19H2,1-5H3
InChIKeySNXGJHSCXQRRNH-UHFFFAOYSA-N
MW479.69 g/mol
LogP3.42
Rot. Bonds11

About 2-[ethylsulfonyl(propyl)amino]-N-[1-(3-methylbutanoyl)piperidin-4-yl]-N-[(2-methylphenyl)methyl]acetamide

2-[ethylsulfonyl(propyl)amino]-N-[1-(3-methylbutanoyl)piperidin-4-yl]-N-[(2-methylphenyl)methyl]acetamide (PubChem CID 46108870) has the molecular formula C25H41N3O4S and a molecular weight of 479.69 g/mol. Its IUPAC name is 2-[ethylsulfonyl(propyl)amino]-N-[1-(3-methylbutanoyl)piperidin-4-yl]-N-[(2-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[ethylsulfonyl(propyl)amino]-N-[1-(3-methylbutanoyl)piperidin-4-yl]-N-[(2-methylphenyl)methyl]acetamide
PubChem CID46108870
Molecular FormulaC25H41N3O4S
Molecular Weight479.69 g/mol
Exact Mass479.28
IUPAC Name2-[ethylsulfonyl(propyl)amino]-N-[1-(3-methylbutanoyl)piperidin-4-yl]-N-[(2-methylphenyl)methyl]acetamide
SMILESCCCN(CC(=O)N(Cc1ccccc1C)C1CCN(C(=O)CC(C)C)CC1)S(=O)(=O)CC
InChIInChI=1S/C25H41N3O4S/c1-6-14-27(33(31,32)7-2)19-25(30)28(18-22-11-9-8-10-21(22)5)23-12-15-26(16-13-23)24(29)17-20(3)4/h8-11,20,23H,6-7,12-19H2,1-5H3
InChIKeySNXGJHSCXQRRNH-UHFFFAOYSA-N
XLogP3.42
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.69
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[ethylsulfonyl(propyl)amino]-N-[1-(3-methylbutanoyl)piperidin-4-yl]-N-[(2-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[ethylsulfonyl(propyl)amino]-N-[1-(3-methylbutanoyl)piperidin-4-yl]-N-[(2-methylphenyl)methyl]acetamide (CID 46108870) is 2-[ethylsulfonyl(propyl)amino]-N-[1-(3-methylbutanoyl)piperidin-4-yl]-N-[(2-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[ethylsulfonyl(propyl)amino]-N-[1-(3-methylbutanoyl)piperidin-4-yl]-N-[(2-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[ethylsulfonyl(propyl)amino]-N-[1-(3-methylbutanoyl)piperidin-4-yl]-N-[(2-methylphenyl)methyl]acetamide is CCCN(CC(=O)N(Cc1ccccc1C)C1CCN(C(=O)CC(C)C)CC1)S(=O)(=O)CC.
What is the InChIKey of 2-[ethylsulfonyl(propyl)amino]-N-[1-(3-methylbutanoyl)piperidin-4-yl]-N-[(2-methylphenyl)methyl]acetamide?
The InChIKey is SNXGJHSCXQRRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H41N3O4S/c1-6-14-27(33(31,32)7-2)19-25(30)28(18-22-11-9-8-10-21(22)5)23-12-15-26(16-13-23)24(29)17-20(3)4/h8-11,20,23H,6-7,12-19H2,1-5H3.
What are the key properties of 2-[ethylsulfonyl(propyl)amino]-N-[1-(3-methylbutanoyl)piperidin-4-yl]-N-[(2-methylphenyl)methyl]acetamide?
2-[ethylsulfonyl(propyl)amino]-N-[1-(3-methylbutanoyl)piperidin-4-yl]-N-[(2-methylphenyl)methyl]acetamide has a molecular weight of 479.69 g/mol, XLogP of 3.42, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethylsulfonyl(propyl)amino]-N-[1-(3-methylbutanoyl)piperidin-4-yl]-N-[(2-methylphenyl)methyl]acetamide is sourced from PubChem (CID 46108870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).