2-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-5-methoxybenzamide

C13H21N3O4S — CID 63863359

IUPAC2-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-5-methoxybenzamide
SMILESCOc1ccc(N)c(C(=O)NCC(C)(C)NS(C)(=O)=O)c1
InChIInChI=1S/C13H21N3O4S/c1-13(2,16-21(4,18)19)8-15-12(17)10-7-9(20-3)5-6-11(10)14/h5-7,16H,8,14H2,1-4H3,(H,15,17)
InChIKeyRKMQAGUQUPDEQK-UHFFFAOYSA-N
MW315.39 g/mol
LogP0.34
Rot. Bonds6

About 2-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-5-methoxybenzamide

2-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-5-methoxybenzamide (PubChem CID 63863359) has the molecular formula C13H21N3O4S and a molecular weight of 315.39 g/mol. Its IUPAC name is 2-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-5-methoxybenzamide.

Molecular Properties

Compound Name2-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-5-methoxybenzamide
PubChem CID63863359
Molecular FormulaC13H21N3O4S
Molecular Weight315.39 g/mol
Exact Mass315.13
IUPAC Name2-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-5-methoxybenzamide
SMILESCOc1ccc(N)c(C(=O)NCC(C)(C)NS(C)(=O)=O)c1
InChIInChI=1S/C13H21N3O4S/c1-13(2,16-21(4,18)19)8-15-12(17)10-7-9(20-3)5-6-11(10)14/h5-7,16H,8,14H2,1-4H3,(H,15,17)
InChIKeyRKMQAGUQUPDEQK-UHFFFAOYSA-N
XLogP0.34
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-5-methoxybenzamide?
The IUPAC name of 2-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-5-methoxybenzamide (CID 63863359) is 2-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-5-methoxybenzamide.
What is the SMILES notation for 2-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-5-methoxybenzamide?
The canonical SMILES for 2-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-5-methoxybenzamide is COc1ccc(N)c(C(=O)NCC(C)(C)NS(C)(=O)=O)c1.
What is the InChIKey of 2-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-5-methoxybenzamide?
The InChIKey is RKMQAGUQUPDEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4S/c1-13(2,16-21(4,18)19)8-15-12(17)10-7-9(20-3)5-6-11(10)14/h5-7,16H,8,14H2,1-4H3,(H,15,17).
What are the key properties of 2-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-5-methoxybenzamide?
2-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-5-methoxybenzamide has a molecular weight of 315.39 g/mol, XLogP of 0.34, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-5-methoxybenzamide is sourced from PubChem (CID 63863359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).