N-(2-amino-4-methoxyphenyl)-3-propan-2-ylsulfonylpropanamide

C13H20N2O4S — CID 60884521

IUPACN-(2-amino-4-methoxyphenyl)-3-propan-2-ylsulfonylpropanamide
SMILESCOc1ccc(NC(=O)CCS(=O)(=O)C(C)C)c(N)c1
InChIInChI=1S/C13H20N2O4S/c1-9(2)20(17,18)7-6-13(16)15-12-5-4-10(19-3)8-11(12)14/h4-5,8-9H,6-7,14H2,1-3H3,(H,15,16)
InChIKeyOBTMXDQKSPCRAT-UHFFFAOYSA-N
MW300.38 g/mol
LogP1.43
Rot. Bonds6

About N-(2-amino-4-methoxyphenyl)-3-propan-2-ylsulfonylpropanamide

N-(2-amino-4-methoxyphenyl)-3-propan-2-ylsulfonylpropanamide (PubChem CID 60884521) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-(2-amino-4-methoxyphenyl)-3-propan-2-ylsulfonylpropanamide.

Molecular Properties

Compound NameN-(2-amino-4-methoxyphenyl)-3-propan-2-ylsulfonylpropanamide
PubChem CID60884521
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC NameN-(2-amino-4-methoxyphenyl)-3-propan-2-ylsulfonylpropanamide
SMILESCOc1ccc(NC(=O)CCS(=O)(=O)C(C)C)c(N)c1
InChIInChI=1S/C13H20N2O4S/c1-9(2)20(17,18)7-6-13(16)15-12-5-4-10(19-3)8-11(12)14/h4-5,8-9H,6-7,14H2,1-3H3,(H,15,16)
InChIKeyOBTMXDQKSPCRAT-UHFFFAOYSA-N
XLogP1.43
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 51.43
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

N-(2-amino-4-methoxyphenyl)-3-butylsulfonylpropanamide
CID 43615944
N-(2-amino-4-methoxyphenyl)-3-[methyl(3-methylbutan-2-yl)amino]propanamide
CID 43569669
N-(2-amino-4-methoxyphenyl)-3-(2-propan-2-yloxyethoxy)propanamide
CID 18071109
N-(5-amino-2-methoxyphenyl)-3-propan-2-ylsulfonylpropanamide
CID 60884523
N-(2-amino-4-methoxyphenyl)nonanamide
CID 65449480
N-(4-amino-2-methylphenyl)-3-propan-2-ylsulfonylpropanamide
CID 60885159
N-(2-amino-4-methoxyphenyl)-2-butan-2-ylsulfanylacetamide
CID 43188465
N-(2-amino-4-methoxyphenyl)-3-(1,1,1-trifluoropropan-2-yloxy)propanamide
CID 66276928
N-(2-amino-5-methoxyphenyl)-3-(2-methylpropylsulfonyl)propanamide;hydrochloride
CID 119420984
N-(2-amino-4-methoxyphenyl)-4-(3-hydroxybutan-2-ylsulfanyl)butanamide
CID 107770402
N-(2-amino-4-methoxyphenyl)-2-propan-2-ylsulfinylacetamide
CID 61286623
N-(2-amino-4-methoxyphenyl)-3-(3,3-dimethylbutoxy)propanamide
CID 66232216

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methoxyphenyl)-3-propan-2-ylsulfonylpropanamide?
The IUPAC name of N-(2-amino-4-methoxyphenyl)-3-propan-2-ylsulfonylpropanamide (CID 60884521) is N-(2-amino-4-methoxyphenyl)-3-propan-2-ylsulfonylpropanamide.
What is the SMILES notation for N-(2-amino-4-methoxyphenyl)-3-propan-2-ylsulfonylpropanamide?
The canonical SMILES for N-(2-amino-4-methoxyphenyl)-3-propan-2-ylsulfonylpropanamide is COc1ccc(NC(=O)CCS(=O)(=O)C(C)C)c(N)c1.
What is the InChIKey of N-(2-amino-4-methoxyphenyl)-3-propan-2-ylsulfonylpropanamide?
The InChIKey is OBTMXDQKSPCRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-9(2)20(17,18)7-6-13(16)15-12-5-4-10(19-3)8-11(12)14/h4-5,8-9H,6-7,14H2,1-3H3,(H,15,16).
What are the key properties of N-(2-amino-4-methoxyphenyl)-3-propan-2-ylsulfonylpropanamide?
N-(2-amino-4-methoxyphenyl)-3-propan-2-ylsulfonylpropanamide has a molecular weight of 300.38 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methoxyphenyl)-3-propan-2-ylsulfonylpropanamide is sourced from PubChem (CID 60884521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).