2-[(4-amino-2-methoxyphenyl)sulfonyl-methylamino]-N-propylacetamide

C13H21N3O4S — CID 61126734

IUPAC2-[(4-amino-2-methoxyphenyl)sulfonyl-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)S(=O)(=O)c1ccc(N)cc1OC
InChIInChI=1S/C13H21N3O4S/c1-4-7-15-13(17)9-16(2)21(18,19)12-6-5-10(14)8-11(12)20-3/h5-6,8H,4,7,9,14H2,1-3H3,(H,15,17)
InChIKeyZGVFVYPCLZSLSM-UHFFFAOYSA-N
MW315.39 g/mol
LogP0.42
Rot. Bonds7

About 2-[(4-amino-2-methoxyphenyl)sulfonyl-methylamino]-N-propylacetamide

2-[(4-amino-2-methoxyphenyl)sulfonyl-methylamino]-N-propylacetamide (PubChem CID 61126734) has the molecular formula C13H21N3O4S and a molecular weight of 315.39 g/mol. Its IUPAC name is 2-[(4-amino-2-methoxyphenyl)sulfonyl-methylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(4-amino-2-methoxyphenyl)sulfonyl-methylamino]-N-propylacetamide
PubChem CID61126734
Molecular FormulaC13H21N3O4S
Molecular Weight315.39 g/mol
Exact Mass315.13
IUPAC Name2-[(4-amino-2-methoxyphenyl)sulfonyl-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)S(=O)(=O)c1ccc(N)cc1OC
InChIInChI=1S/C13H21N3O4S/c1-4-7-15-13(17)9-16(2)21(18,19)12-6-5-10(14)8-11(12)20-3/h5-6,8H,4,7,9,14H2,1-3H3,(H,15,17)
InChIKeyZGVFVYPCLZSLSM-UHFFFAOYSA-N
XLogP0.42
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-propylacetamide
CID 3271656
2-[(3-bromo-4-methoxyphenyl)sulfonyl-methylamino]-N-propylacetamide
CID 31391904
N-ethyl-2-[(2-methoxy-4,5-dimethylphenyl)sulfonyl-methylamino]acetamide
CID 27260887
4-amino-N-benzyl-2-methoxy-N-methylbenzenesulfonamide
CID 43258003
2-[(4-amino-2-methoxyphenyl)sulfonylamino]-N-ethylacetamide
CID 43566769
2-[(4-amino-2-methoxyphenyl)sulfonylamino]-N,N-dimethylacetamide
CID 43310749
4-amino-2-methoxy-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide
CID 55135939
2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-ethylacetamide
CID 45371745
methyl 2-[(4-chloro-2-methoxyphenyl)sulfonyl-methylamino]acetate
CID 43422565
4-ethylsulfonyl-3-methoxyaniline
CID 81207779
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-propylacetamide
CID 2188671
2-[(4-bromophenyl)sulfonyl-methylamino]-N-propylacetamide
CID 2190609

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-2-methoxyphenyl)sulfonyl-methylamino]-N-propylacetamide?
The IUPAC name of 2-[(4-amino-2-methoxyphenyl)sulfonyl-methylamino]-N-propylacetamide (CID 61126734) is 2-[(4-amino-2-methoxyphenyl)sulfonyl-methylamino]-N-propylacetamide.
What is the SMILES notation for 2-[(4-amino-2-methoxyphenyl)sulfonyl-methylamino]-N-propylacetamide?
The canonical SMILES for 2-[(4-amino-2-methoxyphenyl)sulfonyl-methylamino]-N-propylacetamide is CCCNC(=O)CN(C)S(=O)(=O)c1ccc(N)cc1OC.
What is the InChIKey of 2-[(4-amino-2-methoxyphenyl)sulfonyl-methylamino]-N-propylacetamide?
The InChIKey is ZGVFVYPCLZSLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4S/c1-4-7-15-13(17)9-16(2)21(18,19)12-6-5-10(14)8-11(12)20-3/h5-6,8H,4,7,9,14H2,1-3H3,(H,15,17).
What are the key properties of 2-[(4-amino-2-methoxyphenyl)sulfonyl-methylamino]-N-propylacetamide?
2-[(4-amino-2-methoxyphenyl)sulfonyl-methylamino]-N-propylacetamide has a molecular weight of 315.39 g/mol, XLogP of 0.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-2-methoxyphenyl)sulfonyl-methylamino]-N-propylacetamide is sourced from PubChem (CID 61126734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).