2-[(6-tert-butylsulfonyl-3-pyridinyl)amino]-N-(2-methylpropyl)acetamide

C15H25N3O3S — CID 133360538

IUPAC2-[(6-tert-butylsulfonyl-3-pyridinyl)amino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CNc1ccc(S(=O)(=O)C(C)(C)C)nc1
InChIInChI=1S/C15H25N3O3S/c1-11(2)8-17-13(19)10-16-12-6-7-14(18-9-12)22(20,21)15(3,4)5/h6-7,9,11,16H,8,10H2,1-5H3,(H,17,19)
InChIKeyVPDGHAIOOSGRKF-UHFFFAOYSA-N
MW327.45 g/mol
LogP1.84
Rot. Bonds6

About 2-[(6-tert-butylsulfonyl-3-pyridinyl)amino]-N-(2-methylpropyl)acetamide

2-[(6-tert-butylsulfonyl-3-pyridinyl)amino]-N-(2-methylpropyl)acetamide (PubChem CID 133360538) has the molecular formula C15H25N3O3S and a molecular weight of 327.45 g/mol. Its IUPAC name is 2-[(6-tert-butylsulfonyl-3-pyridinyl)amino]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[(6-tert-butylsulfonyl-3-pyridinyl)amino]-N-(2-methylpropyl)acetamide
PubChem CID133360538
Molecular FormulaC15H25N3O3S
Molecular Weight327.45 g/mol
Exact Mass327.16
IUPAC Name2-[(6-tert-butylsulfonyl-3-pyridinyl)amino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CNc1ccc(S(=O)(=O)C(C)(C)C)nc1
InChIInChI=1S/C15H25N3O3S/c1-11(2)8-17-13(19)10-16-12-6-7-14(18-9-12)22(20,21)15(3,4)5/h6-7,9,11,16H,8,10H2,1-5H3,(H,17,19)
InChIKeyVPDGHAIOOSGRKF-UHFFFAOYSA-N
XLogP1.84
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-tert-butylanilino)-N-(2-methylpropyl)acetamide
CID 28571980
N-(2-methylpropyl)-2-(4-methylsulfonylanilino)acetamide
CID 28579456
2-(4-methylanilino)-N-(2-methylpropyl)acetamide
CID 28585751
N-(2-methylpropyl)-2-(4-sulfamoylanilino)acetamide
CID 112688467
3-[(6-tert-butylsulfonyl-3-pyridinyl)amino]propanoic acid
CID 122048213
2-anilino-N-(2-methylpropyl)acetamide
CID 28565172
N-(2-methylpropyl)-2-(4-phenylanilino)acetamide
CID 60647076
2-[(6-tert-butylsulfonyl-3-pyridinyl)amino]hexanoic acid
CID 122060386
3-[(6-tert-butylsulfonyl-3-pyridinyl)amino]-1-phenylbutan-2-ol
CID 133400244
(2S)-2-[(6-tert-butylsulfonyl-3-pyridinyl)amino]-2-(furan-2-yl)ethanol
CID 97224225
1-[(6-tert-butylsulfonyl-3-pyridinyl)amino]-3-phenylpropan-2-ol
CID 133378988
3-methyl-N-(6-methylsulfonyl-3-pyridinyl)butanamide
CID 47212321

Frequently Asked Questions

What is the IUPAC name of 2-[(6-tert-butylsulfonyl-3-pyridinyl)amino]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[(6-tert-butylsulfonyl-3-pyridinyl)amino]-N-(2-methylpropyl)acetamide (CID 133360538) is 2-[(6-tert-butylsulfonyl-3-pyridinyl)amino]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[(6-tert-butylsulfonyl-3-pyridinyl)amino]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[(6-tert-butylsulfonyl-3-pyridinyl)amino]-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CNc1ccc(S(=O)(=O)C(C)(C)C)nc1.
What is the InChIKey of 2-[(6-tert-butylsulfonyl-3-pyridinyl)amino]-N-(2-methylpropyl)acetamide?
The InChIKey is VPDGHAIOOSGRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3S/c1-11(2)8-17-13(19)10-16-12-6-7-14(18-9-12)22(20,21)15(3,4)5/h6-7,9,11,16H,8,10H2,1-5H3,(H,17,19).
What are the key properties of 2-[(6-tert-butylsulfonyl-3-pyridinyl)amino]-N-(2-methylpropyl)acetamide?
2-[(6-tert-butylsulfonyl-3-pyridinyl)amino]-N-(2-methylpropyl)acetamide has a molecular weight of 327.45 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-tert-butylsulfonyl-3-pyridinyl)amino]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 133360538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).