2-amino-N-[1-(4-methylphenyl)propyl]-4-methylsulfonylbutanamide

C15H24N2O3S — CID 43707473

IUPAC2-amino-N-[1-(4-methylphenyl)propyl]-4-methylsulfonylbutanamide
SMILESCCC(NC(=O)C(N)CCS(C)(=O)=O)c1ccc(C)cc1
InChIInChI=1S/C15H24N2O3S/c1-4-14(12-7-5-11(2)6-8-12)17-15(18)13(16)9-10-21(3,19)20/h5-8,13-14H,4,9-10,16H2,1-3H3,(H,17,18)
InChIKeyMDPSUVHCQMPHEO-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.32
Rot. Bonds7

About 2-amino-N-[1-(4-methylphenyl)propyl]-4-methylsulfonylbutanamide

2-amino-N-[1-(4-methylphenyl)propyl]-4-methylsulfonylbutanamide (PubChem CID 43707473) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-amino-N-[1-(4-methylphenyl)propyl]-4-methylsulfonylbutanamide.

Molecular Properties

Compound Name2-amino-N-[1-(4-methylphenyl)propyl]-4-methylsulfonylbutanamide
PubChem CID43707473
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name2-amino-N-[1-(4-methylphenyl)propyl]-4-methylsulfonylbutanamide
SMILESCCC(NC(=O)C(N)CCS(C)(=O)=O)c1ccc(C)cc1
InChIInChI=1S/C15H24N2O3S/c1-4-14(12-7-5-11(2)6-8-12)17-15(18)13(16)9-10-21(3,19)20/h5-8,13-14H,4,9-10,16H2,1-3H3,(H,17,18)
InChIKeyMDPSUVHCQMPHEO-UHFFFAOYSA-N
XLogP1.32
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[1-(4-methylphenyl)propyl]pentanamide
CID 107568564
2-amino-N-[1-(4-methylphenyl)propyl]propanamide
CID 43707472
2-methyl-N-[1-(4-methylphenyl)propyl]butanamide
CID 134024126
2-methyl-N-[(1S)-1-(4-methylphenyl)propyl]propanamide
CID 95358385
2-amino-3-methyl-N-[1-(4-methylphenyl)propyl]pentanamide
CID 43707477
1-(4-methylphenyl)-N-(2-methylsulfonylethyl)propan-1-amine
CID 60713855
2-(carbamoylamino)-N-[1-(4-methylphenyl)propyl]propanamide
CID 112766085
2-amino-N-[1-(4-fluorophenyl)ethyl]-4-methylsulfonylbutanamide
CID 61249769
1-(4-methylphenyl)-3-methylsulfonylpropan-1-amine
CID 62608341
2-amino-4-methylsulfonyl-N-(1-phenylethyl)butanamide
CID 24699634
2-amino-N-[1-(4-methoxyphenyl)propyl]pentanamide;hydrochloride
CID 119271194
(2R)-2-amino-N-[1-(4-methylphenyl)ethyl]pentanamide
CID 103794630

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(4-methylphenyl)propyl]-4-methylsulfonylbutanamide?
The IUPAC name of 2-amino-N-[1-(4-methylphenyl)propyl]-4-methylsulfonylbutanamide (CID 43707473) is 2-amino-N-[1-(4-methylphenyl)propyl]-4-methylsulfonylbutanamide.
What is the SMILES notation for 2-amino-N-[1-(4-methylphenyl)propyl]-4-methylsulfonylbutanamide?
The canonical SMILES for 2-amino-N-[1-(4-methylphenyl)propyl]-4-methylsulfonylbutanamide is CCC(NC(=O)C(N)CCS(C)(=O)=O)c1ccc(C)cc1.
What is the InChIKey of 2-amino-N-[1-(4-methylphenyl)propyl]-4-methylsulfonylbutanamide?
The InChIKey is MDPSUVHCQMPHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-4-14(12-7-5-11(2)6-8-12)17-15(18)13(16)9-10-21(3,19)20/h5-8,13-14H,4,9-10,16H2,1-3H3,(H,17,18).
What are the key properties of 2-amino-N-[1-(4-methylphenyl)propyl]-4-methylsulfonylbutanamide?
2-amino-N-[1-(4-methylphenyl)propyl]-4-methylsulfonylbutanamide has a molecular weight of 312.44 g/mol, XLogP of 1.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(4-methylphenyl)propyl]-4-methylsulfonylbutanamide is sourced from PubChem (CID 43707473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).