N-(4-methoxy-3-methylphenyl)-1-(propan-2-ylamino)propane-2-sulfonamide

C14H24N2O3S — CID 106053288

IUPACN-(4-methoxy-3-methylphenyl)-1-(propan-2-ylamino)propane-2-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)C(C)CNC(C)C)cc1C
InChIInChI=1S/C14H24N2O3S/c1-10(2)15-9-12(4)20(17,18)16-13-6-7-14(19-5)11(3)8-13/h6-8,10,12,15-16H,9H2,1-5H3
InChIKeyOTEDELYYHZUYAY-UHFFFAOYSA-N
MW300.42 g/mol
LogP2.13
Rot. Bonds7

About N-(4-methoxy-3-methylphenyl)-1-(propan-2-ylamino)propane-2-sulfonamide

N-(4-methoxy-3-methylphenyl)-1-(propan-2-ylamino)propane-2-sulfonamide (PubChem CID 106053288) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is N-(4-methoxy-3-methylphenyl)-1-(propan-2-ylamino)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(4-methoxy-3-methylphenyl)-1-(propan-2-ylamino)propane-2-sulfonamide
PubChem CID106053288
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC NameN-(4-methoxy-3-methylphenyl)-1-(propan-2-ylamino)propane-2-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)C(C)CNC(C)C)cc1C
InChIInChI=1S/C14H24N2O3S/c1-10(2)15-9-12(4)20(17,18)16-13-6-7-14(19-5)11(3)8-13/h6-8,10,12,15-16H,9H2,1-5H3
InChIKeyOTEDELYYHZUYAY-UHFFFAOYSA-N
XLogP2.13
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(dimethylamino)-4-methylphenyl]-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106073981
N-(4,6-dimethoxypyrimidin-2-yl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106089584
N-(4-ethoxy-3-methoxyphenyl)propane-2-sulfonamide
CID 62997998
N-(4-methoxy-3-methylphenyl)-1-phenylmethanesulfonamide
CID 110776446
N-(4-fluoro-3-methoxyphenyl)-1-hydroxypropane-2-sulfonamide
CID 114135666
N-(4-bromo-3-methoxyphenyl)-1-(propylamino)propane-2-sulfonamide
CID 106076653
N-(2-bromo-5-methoxyphenyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106067184
N-(3-methyl-4-pyridinyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106065488
N-(3-fluoro-4-methylphenyl)-1-(methylamino)propane-2-sulfonamide
CID 107447139
2-(aminomethyl)-N-(4-methoxy-3-methylphenyl)piperidine-1-sulfonamide
CID 106053297
4-methoxy-N-(4-methoxy-3-methylphenyl)-2-methylbenzenesulfonamide
CID 110776438
2-amino-3-(4-methoxy-3-methylanilino)propanamide
CID 103243682

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-3-methylphenyl)-1-(propan-2-ylamino)propane-2-sulfonamide?
The IUPAC name of N-(4-methoxy-3-methylphenyl)-1-(propan-2-ylamino)propane-2-sulfonamide (CID 106053288) is N-(4-methoxy-3-methylphenyl)-1-(propan-2-ylamino)propane-2-sulfonamide.
What is the SMILES notation for N-(4-methoxy-3-methylphenyl)-1-(propan-2-ylamino)propane-2-sulfonamide?
The canonical SMILES for N-(4-methoxy-3-methylphenyl)-1-(propan-2-ylamino)propane-2-sulfonamide is COc1ccc(NS(=O)(=O)C(C)CNC(C)C)cc1C.
What is the InChIKey of N-(4-methoxy-3-methylphenyl)-1-(propan-2-ylamino)propane-2-sulfonamide?
The InChIKey is OTEDELYYHZUYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-10(2)15-9-12(4)20(17,18)16-13-6-7-14(19-5)11(3)8-13/h6-8,10,12,15-16H,9H2,1-5H3.
What are the key properties of N-(4-methoxy-3-methylphenyl)-1-(propan-2-ylamino)propane-2-sulfonamide?
N-(4-methoxy-3-methylphenyl)-1-(propan-2-ylamino)propane-2-sulfonamide has a molecular weight of 300.42 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-3-methylphenyl)-1-(propan-2-ylamino)propane-2-sulfonamide is sourced from PubChem (CID 106053288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).