2-(2-methylpropylsulfonyl)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]acetamide

C21H32N2O4S — CID 60611058

IUPAC2-(2-methylpropylsulfonyl)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]acetamide
SMILESCCC(C(=O)N1CCC(NC(=O)CS(=O)(=O)CC(C)C)CC1)c1ccccc1
InChIInChI=1S/C21H32N2O4S/c1-4-19(17-8-6-5-7-9-17)21(25)23-12-10-18(11-13-23)22-20(24)15-28(26,27)14-16(2)3/h5-9,16,18-19H,4,10-15H2,1-3H3,(H,22,24)
InChIKeyPTOLDLFOUDDDJE-UHFFFAOYSA-N
MW408.56 g/mol
LogP2.36
Rot. Bonds8

About 2-(2-methylpropylsulfonyl)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]acetamide

2-(2-methylpropylsulfonyl)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]acetamide (PubChem CID 60611058) has the molecular formula C21H32N2O4S and a molecular weight of 408.56 g/mol. Its IUPAC name is 2-(2-methylpropylsulfonyl)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(2-methylpropylsulfonyl)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]acetamide
PubChem CID60611058
Molecular FormulaC21H32N2O4S
Molecular Weight408.56 g/mol
Exact Mass408.21
IUPAC Name2-(2-methylpropylsulfonyl)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]acetamide
SMILESCCC(C(=O)N1CCC(NC(=O)CS(=O)(=O)CC(C)C)CC1)c1ccccc1
InChIInChI=1S/C21H32N2O4S/c1-4-19(17-8-6-5-7-9-17)21(25)23-12-10-18(11-13-23)22-20(24)15-28(26,27)14-16(2)3/h5-9,16,18-19H,4,10-15H2,1-3H3,(H,22,24)
InChIKeyPTOLDLFOUDDDJE-UHFFFAOYSA-N
XLogP2.36
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.56
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-3-phenyl-N-[1-(2-phenylbutanoyl)piperidin-4-yl]propanamide
CID 119950959
2-(cyclopropylmethylamino)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]acetamide;hydrochloride
CID 119763651
1-ethyl-3-[1-[(2R)-2-phenylbutanoyl]piperidin-4-yl]urea
CID 95303034
(1S,6R)-N-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]bicyclo[4.1.0]heptane-7-carboxamide
CID 95906118
N-[1-(3-methylbutanoyl)piperidin-4-yl]-2-phenylbutanamide
CID 51093701
N-[1-(2-phenylbutanoyl)piperidin-4-yl]-3-piperidin-3-ylbutanamide
CID 119763648
N-[1-(2-phenylbutanoyl)piperidin-4-yl]piperidine-4-carboxamide
CID 119311950
N-[1-(2-phenylbutanoyl)piperidin-4-yl]furan-2-carboxamide
CID 51102722
2-amino-3-methoxy-N-[1-(2-phenylbutanoyl)piperidin-4-yl]propanamide
CID 120988219
N-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide
CID 124628014
3-amino-N-[1-(2-phenylbutanoyl)piperidin-4-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119763637
N-[1-[(2R)-2-amino-2-phenylacetyl]piperidin-4-yl]propanamide
CID 61163953

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropylsulfonyl)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-(2-methylpropylsulfonyl)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]acetamide (CID 60611058) is 2-(2-methylpropylsulfonyl)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(2-methylpropylsulfonyl)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-(2-methylpropylsulfonyl)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]acetamide is CCC(C(=O)N1CCC(NC(=O)CS(=O)(=O)CC(C)C)CC1)c1ccccc1.
What is the InChIKey of 2-(2-methylpropylsulfonyl)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]acetamide?
The InChIKey is PTOLDLFOUDDDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O4S/c1-4-19(17-8-6-5-7-9-17)21(25)23-12-10-18(11-13-23)22-20(24)15-28(26,27)14-16(2)3/h5-9,16,18-19H,4,10-15H2,1-3H3,(H,22,24).
What are the key properties of 2-(2-methylpropylsulfonyl)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]acetamide?
2-(2-methylpropylsulfonyl)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]acetamide has a molecular weight of 408.56 g/mol, XLogP of 2.36, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropylsulfonyl)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 60611058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).