2-amino-4-[methyl(2-methylsulfonylethyl)amino]-2-phenylbutanamide

C14H23N3O3S — CID 116693896

IUPAC2-amino-4-[methyl(2-methylsulfonylethyl)amino]-2-phenylbutanamide
SMILESCN(CCC(N)(C(N)=O)c1ccccc1)CCS(C)(=O)=O
InChIInChI=1S/C14H23N3O3S/c1-17(10-11-21(2,19)20)9-8-14(16,13(15)18)12-6-4-3-5-7-12/h3-7H,8-11,16H2,1-2H3,(H2,15,18)
InChIKeySIBGPTWFSVVQKQ-UHFFFAOYSA-N
MW313.42 g/mol
LogP-0.31
Rot. Bonds8

About 2-amino-4-[methyl(2-methylsulfonylethyl)amino]-2-phenylbutanamide

2-amino-4-[methyl(2-methylsulfonylethyl)amino]-2-phenylbutanamide (PubChem CID 116693896) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 2-amino-4-[methyl(2-methylsulfonylethyl)amino]-2-phenylbutanamide.

Molecular Properties

Compound Name2-amino-4-[methyl(2-methylsulfonylethyl)amino]-2-phenylbutanamide
PubChem CID116693896
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name2-amino-4-[methyl(2-methylsulfonylethyl)amino]-2-phenylbutanamide
SMILESCN(CCC(N)(C(N)=O)c1ccccc1)CCS(C)(=O)=O
InChIInChI=1S/C14H23N3O3S/c1-17(10-11-21(2,19)20)9-8-14(16,13(15)18)12-6-4-3-5-7-12/h3-7H,8-11,16H2,1-2H3,(H2,15,18)
InChIKeySIBGPTWFSVVQKQ-UHFFFAOYSA-N
XLogP-0.31
TPSA106.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-[methyl(3,3,3-trifluoropropyl)amino]-2-phenylbutanamide
CID 116693883
2-amino-4-[methyl(3-methylbutyl)amino]-2-phenylbutanamide
CID 116693835
2-amino-4-[cyclopropylmethyl(methyl)amino]-2-phenylbutanamide
CID 116693782
2-(methylamino)-4-[methyl(2-methylsulfonylethyl)amino]-2-phenylbutanenitrile
CID 116692636
methyl 2-amino-4-[ethyl(methyl)amino]-2-phenylbutanoate
CID 116693670
2-(ethylamino)-2-methyl-4-[methyl(2-methylsulfonylethyl)amino]butanamide
CID 79859382
2,2-dimethyl-4-[methyl(2-methylsulfonylethyl)amino]butanethioamide
CID 79850638
1-[methyl(2-methylsulfonylethyl)amino]-3-phenylpropan-2-one
CID 79850568
2-amino-3-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-phenylpropanamide
CID 63210905
2-amino-4-(4-ethylpiperazin-1-yl)-2-phenylbutanamide
CID 116693503
4-[methyl(3-phenylpropyl)amino]-2,2-diphenylbutanamide
CID 19088491
2-amino-4-(azocan-1-yl)-2-phenylbutanamide
CID 116693501

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[methyl(2-methylsulfonylethyl)amino]-2-phenylbutanamide?
The IUPAC name of 2-amino-4-[methyl(2-methylsulfonylethyl)amino]-2-phenylbutanamide (CID 116693896) is 2-amino-4-[methyl(2-methylsulfonylethyl)amino]-2-phenylbutanamide.
What is the SMILES notation for 2-amino-4-[methyl(2-methylsulfonylethyl)amino]-2-phenylbutanamide?
The canonical SMILES for 2-amino-4-[methyl(2-methylsulfonylethyl)amino]-2-phenylbutanamide is CN(CCC(N)(C(N)=O)c1ccccc1)CCS(C)(=O)=O.
What is the InChIKey of 2-amino-4-[methyl(2-methylsulfonylethyl)amino]-2-phenylbutanamide?
The InChIKey is SIBGPTWFSVVQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-17(10-11-21(2,19)20)9-8-14(16,13(15)18)12-6-4-3-5-7-12/h3-7H,8-11,16H2,1-2H3,(H2,15,18).
What are the key properties of 2-amino-4-[methyl(2-methylsulfonylethyl)amino]-2-phenylbutanamide?
2-amino-4-[methyl(2-methylsulfonylethyl)amino]-2-phenylbutanamide has a molecular weight of 313.42 g/mol, XLogP of -0.31, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[methyl(2-methylsulfonylethyl)amino]-2-phenylbutanamide is sourced from PubChem (CID 116693896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).