N-(4-methoxyphenyl)-N-methyl-3-(propan-2-ylamino)propane-1-sulfonamide

C14H24N2O3S — CID 62002866

IUPACN-(4-methoxyphenyl)-N-methyl-3-(propan-2-ylamino)propane-1-sulfonamide
SMILESCOc1ccc(N(C)S(=O)(=O)CCCNC(C)C)cc1
InChIInChI=1S/C14H24N2O3S/c1-12(2)15-10-5-11-20(17,18)16(3)13-6-8-14(19-4)9-7-13/h6-9,12,15H,5,10-11H2,1-4H3
InChIKeyJCBQPYBYEZEIRA-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.85
Rot. Bonds8

About N-(4-methoxyphenyl)-N-methyl-3-(propan-2-ylamino)propane-1-sulfonamide

N-(4-methoxyphenyl)-N-methyl-3-(propan-2-ylamino)propane-1-sulfonamide (PubChem CID 62002866) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N-methyl-3-(propan-2-ylamino)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N-methyl-3-(propan-2-ylamino)propane-1-sulfonamide
PubChem CID62002866
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC NameN-(4-methoxyphenyl)-N-methyl-3-(propan-2-ylamino)propane-1-sulfonamide
SMILESCOc1ccc(N(C)S(=O)(=O)CCCNC(C)C)cc1
InChIInChI=1S/C14H24N2O3S/c1-12(2)15-10-5-11-20(17,18)16(3)13-6-8-14(19-4)9-7-13/h6-9,12,15H,5,10-11H2,1-4H3
InChIKeyJCBQPYBYEZEIRA-UHFFFAOYSA-N
XLogP1.85
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-phenyl-3-(propan-2-ylamino)propane-1-sulfonamide
CID 54973831
N-(2-methoxyphenyl)-N-methyl-2-(propan-2-ylamino)ethanesulfonamide
CID 62003809
4-methoxy-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 62663524
N-(3-methoxypropyl)-N-methyl-3-(propan-2-ylamino)propane-1-sulfonamide
CID 63010138
N-butan-2-yl-4-methoxy-N-methylaniline
CID 154139532
N-[(4-methoxyphenyl)sulfonylmethyl]propan-2-amine
CID 117036381
N-methyl-N-(3-methylbutan-2-yl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 54972433
N-butyl-N-phenyl-3-(propan-2-ylamino)propane-1-sulfonamide
CID 64586372
N-(2-fluoro-5-methoxyphenyl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106071794
3-(4-methoxy-2-methylphenyl)-N-propan-2-ylpropan-1-amine
CID 65315961
N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]butane-1-sulfonamide
CID 94197095
N-[1-(4-methoxyphenyl)-2-methylpropyl]butane-1-sulfonamide
CID 47371512

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N-methyl-3-(propan-2-ylamino)propane-1-sulfonamide?
The IUPAC name of N-(4-methoxyphenyl)-N-methyl-3-(propan-2-ylamino)propane-1-sulfonamide (CID 62002866) is N-(4-methoxyphenyl)-N-methyl-3-(propan-2-ylamino)propane-1-sulfonamide.
What is the SMILES notation for N-(4-methoxyphenyl)-N-methyl-3-(propan-2-ylamino)propane-1-sulfonamide?
The canonical SMILES for N-(4-methoxyphenyl)-N-methyl-3-(propan-2-ylamino)propane-1-sulfonamide is COc1ccc(N(C)S(=O)(=O)CCCNC(C)C)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-N-methyl-3-(propan-2-ylamino)propane-1-sulfonamide?
The InChIKey is JCBQPYBYEZEIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-12(2)15-10-5-11-20(17,18)16(3)13-6-8-14(19-4)9-7-13/h6-9,12,15H,5,10-11H2,1-4H3.
What are the key properties of N-(4-methoxyphenyl)-N-methyl-3-(propan-2-ylamino)propane-1-sulfonamide?
N-(4-methoxyphenyl)-N-methyl-3-(propan-2-ylamino)propane-1-sulfonamide has a molecular weight of 300.42 g/mol, XLogP of 1.85, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N-methyl-3-(propan-2-ylamino)propane-1-sulfonamide is sourced from PubChem (CID 62002866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).