N-[4-(3-methylbutylamino)phenyl]-4-propan-2-yloxybenzenesulfonamide

C20H28N2O3S — CID 112985174

IUPACN-[4-(3-methylbutylamino)phenyl]-4-propan-2-yloxybenzenesulfonamide
SMILESCC(C)CCNc1ccc(NS(=O)(=O)c2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C20H28N2O3S/c1-15(2)13-14-21-17-5-7-18(8-6-17)22-26(23,24)20-11-9-19(10-12-20)25-16(3)4/h5-12,15-16,21-22H,13-14H2,1-4H3
InChIKeyGFPCTBQUVMEUHR-UHFFFAOYSA-N
MW376.52 g/mol
LogP4.73
Rot. Bonds9

About N-[4-(3-methylbutylamino)phenyl]-4-propan-2-yloxybenzenesulfonamide

N-[4-(3-methylbutylamino)phenyl]-4-propan-2-yloxybenzenesulfonamide (PubChem CID 112985174) has the molecular formula C20H28N2O3S and a molecular weight of 376.52 g/mol. Its IUPAC name is N-[4-(3-methylbutylamino)phenyl]-4-propan-2-yloxybenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(3-methylbutylamino)phenyl]-4-propan-2-yloxybenzenesulfonamide
PubChem CID112985174
Molecular FormulaC20H28N2O3S
Molecular Weight376.52 g/mol
Exact Mass376.18
IUPAC NameN-[4-(3-methylbutylamino)phenyl]-4-propan-2-yloxybenzenesulfonamide
SMILESCC(C)CCNc1ccc(NS(=O)(=O)c2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C20H28N2O3S/c1-15(2)13-14-21-17-5-7-18(8-6-17)22-26(23,24)20-11-9-19(10-12-20)25-16(3)4/h5-12,15-16,21-22H,13-14H2,1-4H3
InChIKeyGFPCTBQUVMEUHR-UHFFFAOYSA-N
XLogP4.73
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.52
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(butylamino)phenyl]-4-propan-2-yloxybenzenesulfonamide
CID 112980319
4-chloro-N-[4-(3-methylbutylamino)phenyl]benzenesulfonamide
CID 112985139
4-ethyl-N-[4-(3-methylbutylamino)phenyl]benzenesulfonamide
CID 112985145
3,4-dimethoxy-N-[4-(3-methylbutylamino)phenyl]benzenesulfonamide
CID 112985152
N-[4-(diethylamino)phenyl]-4-propan-2-yloxybenzenesulfonamide
CID 112984727
2,5-dimethoxy-N-[4-(3-methylbutylamino)phenyl]benzenesulfonamide
CID 112985154
4-ethoxy-N-[5-(3-methylbutylamino)-2-pyridinyl]benzenesulfonamide
CID 113030370
N-[5-(butylamino)-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide
CID 113024078
2-methyl-5-[(4-propan-2-yloxyphenyl)sulfamoyl]benzoic acid
CID 51113766
N-(3-methylbutyl)-3-(4-propan-2-yloxyanilino)propanamide
CID 109031931
N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]-4-propan-2-yloxybenzenesulfonamide
CID 112990448
N-(2-tert-butylsulfonylethyl)-4-propan-2-yloxyaniline
CID 106723144

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methylbutylamino)phenyl]-4-propan-2-yloxybenzenesulfonamide?
The IUPAC name of N-[4-(3-methylbutylamino)phenyl]-4-propan-2-yloxybenzenesulfonamide (CID 112985174) is N-[4-(3-methylbutylamino)phenyl]-4-propan-2-yloxybenzenesulfonamide.
What is the SMILES notation for N-[4-(3-methylbutylamino)phenyl]-4-propan-2-yloxybenzenesulfonamide?
The canonical SMILES for N-[4-(3-methylbutylamino)phenyl]-4-propan-2-yloxybenzenesulfonamide is CC(C)CCNc1ccc(NS(=O)(=O)c2ccc(OC(C)C)cc2)cc1.
What is the InChIKey of N-[4-(3-methylbutylamino)phenyl]-4-propan-2-yloxybenzenesulfonamide?
The InChIKey is GFPCTBQUVMEUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3S/c1-15(2)13-14-21-17-5-7-18(8-6-17)22-26(23,24)20-11-9-19(10-12-20)25-16(3)4/h5-12,15-16,21-22H,13-14H2,1-4H3.
What are the key properties of N-[4-(3-methylbutylamino)phenyl]-4-propan-2-yloxybenzenesulfonamide?
N-[4-(3-methylbutylamino)phenyl]-4-propan-2-yloxybenzenesulfonamide has a molecular weight of 376.52 g/mol, XLogP of 4.73, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methylbutylamino)phenyl]-4-propan-2-yloxybenzenesulfonamide is sourced from PubChem (CID 112985174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).