2-[methyl(pentan-2-yl)amino]-N-(3-methylsulfonylphenyl)acetamide

C15H24N2O3S — CID 42959271

IUPAC2-[methyl(pentan-2-yl)amino]-N-(3-methylsulfonylphenyl)acetamide
SMILESCCCC(C)N(C)CC(=O)Nc1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C15H24N2O3S/c1-5-7-12(2)17(3)11-15(18)16-13-8-6-9-14(10-13)21(4,19)20/h6,8-10,12H,5,7,11H2,1-4H3,(H,16,18)
InChIKeyRRCSEVUDLFSOOH-UHFFFAOYSA-N
MW312.43 g/mol
LogP2.15
Rot. Bonds7

About 2-[methyl(pentan-2-yl)amino]-N-(3-methylsulfonylphenyl)acetamide

2-[methyl(pentan-2-yl)amino]-N-(3-methylsulfonylphenyl)acetamide (PubChem CID 42959271) has the molecular formula C15H24N2O3S and a molecular weight of 312.43 g/mol. Its IUPAC name is 2-[methyl(pentan-2-yl)amino]-N-(3-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[methyl(pentan-2-yl)amino]-N-(3-methylsulfonylphenyl)acetamide
PubChem CID42959271
Molecular FormulaC15H24N2O3S
Molecular Weight312.43 g/mol
Exact Mass312.15
IUPAC Name2-[methyl(pentan-2-yl)amino]-N-(3-methylsulfonylphenyl)acetamide
SMILESCCCC(C)N(C)CC(=O)Nc1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C15H24N2O3S/c1-5-7-12(2)17(3)11-15(18)16-13-8-6-9-14(10-13)21(4,19)20/h6,8-10,12H,5,7,11H2,1-4H3,(H,16,18)
InChIKeyRRCSEVUDLFSOOH-UHFFFAOYSA-N
XLogP2.15
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylsulfonylphenyl)butanamide
CID 37391541
2-[benzyl(propan-2-yl)amino]-N-(3-methylsulfonylphenyl)acetamide
CID 24582092
2-ethyl-N-(3-methylsulfonylphenyl)butanamide
CID 47118406
2-(ethylamino)-N-(3-methylsulfonylphenyl)acetamide
CID 60673121
4-amino-3-methyl-N-(3-methylsulfonylphenyl)butanamide
CID 81075894
N-(3-methylsulfonylphenyl)-3-(propan-2-ylamino)propanamide
CID 54862201
(2R)-N-(3-methylsulfonylphenyl)-2-phenylpentanamide
CID 9071410
2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(3-methylsulfonylphenyl)acetamide
CID 8844143
2-(1-adamantyl)-N-(3-methylsulfonylphenyl)acetamide
CID 17486752
3-(aminomethyl)-N-(3-methylsulfonylphenyl)pentanamide
CID 81075821
4-hydroxy-N-(3-methylsulfonylphenyl)butanamide
CID 79193203
(3-methylsulfonylphenyl)carbamothioic S-acid
CID 87640544

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(pentan-2-yl)amino]-N-(3-methylsulfonylphenyl)acetamide?
The IUPAC name of 2-[methyl(pentan-2-yl)amino]-N-(3-methylsulfonylphenyl)acetamide (CID 42959271) is 2-[methyl(pentan-2-yl)amino]-N-(3-methylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[methyl(pentan-2-yl)amino]-N-(3-methylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[methyl(pentan-2-yl)amino]-N-(3-methylsulfonylphenyl)acetamide is CCCC(C)N(C)CC(=O)Nc1cccc(S(C)(=O)=O)c1.
What is the InChIKey of 2-[methyl(pentan-2-yl)amino]-N-(3-methylsulfonylphenyl)acetamide?
The InChIKey is RRCSEVUDLFSOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-5-7-12(2)17(3)11-15(18)16-13-8-6-9-14(10-13)21(4,19)20/h6,8-10,12H,5,7,11H2,1-4H3,(H,16,18).
What are the key properties of 2-[methyl(pentan-2-yl)amino]-N-(3-methylsulfonylphenyl)acetamide?
2-[methyl(pentan-2-yl)amino]-N-(3-methylsulfonylphenyl)acetamide has a molecular weight of 312.43 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(pentan-2-yl)amino]-N-(3-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 42959271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).