N-(2-aminophenyl)-4-butan-2-ylsulfonylbutanamide

C14H22N2O3S — CID 43444541

IUPACN-(2-aminophenyl)-4-butan-2-ylsulfonylbutanamide
SMILESCCC(C)S(=O)(=O)CCCC(=O)Nc1ccccc1N
InChIInChI=1S/C14H22N2O3S/c1-3-11(2)20(18,19)10-6-9-14(17)16-13-8-5-4-7-12(13)15/h4-5,7-8,11H,3,6,9-10,15H2,1-2H3,(H,16,17)
InChIKeyIPTBDAIFZYJWPF-UHFFFAOYSA-N
MW298.41 g/mol
LogP2.20
Rot. Bonds7

About N-(2-aminophenyl)-4-butan-2-ylsulfonylbutanamide

N-(2-aminophenyl)-4-butan-2-ylsulfonylbutanamide (PubChem CID 43444541) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-butan-2-ylsulfonylbutanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-butan-2-ylsulfonylbutanamide
PubChem CID43444541
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-(2-aminophenyl)-4-butan-2-ylsulfonylbutanamide
SMILESCCC(C)S(=O)(=O)CCCC(=O)Nc1ccccc1N
InChIInChI=1S/C14H22N2O3S/c1-3-11(2)20(18,19)10-6-9-14(17)16-13-8-5-4-7-12(13)15/h4-5,7-8,11H,3,6,9-10,15H2,1-2H3,(H,16,17)
InChIKeyIPTBDAIFZYJWPF-UHFFFAOYSA-N
XLogP2.20
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminophenyl)octadecanamide
CID 68839220
N-(2-aminophenyl)-4-(1-ethoxypropan-2-yloxy)butanamide
CID 103486961
N-(2-aminophenyl)-4-[ethyl(2-methylpropyl)amino]butanamide
CID 43273334
N-(2-aminophenyl)-4-methylsulfanylbutanamide;hydrochloride
CID 119422835
N-(2-aminophenyl)-4-ethylsulfinylbutanamide
CID 61303639
N-(2-aminophenyl)-3-ethylpentanamide
CID 119422237
N-(2-aminophenyl)-4-[methyl(3-methylbutyl)amino]butanamide
CID 61425903
N-(2-aminophenyl)-4-[methyl(2-methylpropyl)amino]butanamide
CID 43271740
N-(2-aminophenyl)-4-(3-methylbutan-2-ylsulfinyl)butanamide
CID 107753701
N-(2-aminophenyl)-3-(benzenesulfonyl)propanamide
CID 43444138
N-(2-aminophenyl)-4-methoxybutanamide;hydrochloride
CID 119422032
N-(2-aminophenyl)-5-methoxypentanamide
CID 119422437

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-butan-2-ylsulfonylbutanamide?
The IUPAC name of N-(2-aminophenyl)-4-butan-2-ylsulfonylbutanamide (CID 43444541) is N-(2-aminophenyl)-4-butan-2-ylsulfonylbutanamide.
What is the SMILES notation for N-(2-aminophenyl)-4-butan-2-ylsulfonylbutanamide?
The canonical SMILES for N-(2-aminophenyl)-4-butan-2-ylsulfonylbutanamide is CCC(C)S(=O)(=O)CCCC(=O)Nc1ccccc1N.
What is the InChIKey of N-(2-aminophenyl)-4-butan-2-ylsulfonylbutanamide?
The InChIKey is IPTBDAIFZYJWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-3-11(2)20(18,19)10-6-9-14(17)16-13-8-5-4-7-12(13)15/h4-5,7-8,11H,3,6,9-10,15H2,1-2H3,(H,16,17).
What are the key properties of N-(2-aminophenyl)-4-butan-2-ylsulfonylbutanamide?
N-(2-aminophenyl)-4-butan-2-ylsulfonylbutanamide has a molecular weight of 298.41 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-butan-2-ylsulfonylbutanamide is sourced from PubChem (CID 43444541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).