N-(4-tert-butylphenyl)-4-(propylsulfonylamino)benzamide

C20H26N2O3S — CID 142682977

IUPACN-(4-tert-butylphenyl)-4-(propylsulfonylamino)benzamide
SMILESCCCS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C20H26N2O3S/c1-5-14-26(24,25)22-18-10-6-15(7-11-18)19(23)21-17-12-8-16(9-13-17)20(2,3)4/h6-13,22H,5,14H2,1-4H3,(H,21,23)
InChIKeyDXPWQEBIFYDFBC-UHFFFAOYSA-N
MW374.51 g/mol
LogP4.39
Rot. Bonds6

About N-(4-tert-butylphenyl)-4-(propylsulfonylamino)benzamide

N-(4-tert-butylphenyl)-4-(propylsulfonylamino)benzamide (PubChem CID 142682977) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-4-(propylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-4-(propylsulfonylamino)benzamide
PubChem CID142682977
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC NameN-(4-tert-butylphenyl)-4-(propylsulfonylamino)benzamide
SMILESCCCS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C20H26N2O3S/c1-5-14-26(24,25)22-18-10-6-15(7-11-18)19(23)21-17-12-8-16(9-13-17)20(2,3)4/h6-13,22H,5,14H2,1-4H3,(H,21,23)
InChIKeyDXPWQEBIFYDFBC-UHFFFAOYSA-N
XLogP4.39
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[4-(ethylsulfonylamino)phenyl]benzamide
CID 47051930
N-(4-chlorophenyl)-4-(ethylsulfonylamino)benzamide
CID 92643113
N,N'-bis[4-[(4-tert-butylbenzoyl)amino]phenyl]butanediamide
CID 17235325
3-methoxy-N-[4-(propylsulfonylamino)phenyl]benzamide
CID 47078326
N-[3-(ethylaminomethyl)phenyl]-4-(propylsulfonylamino)benzamide;hydrochloride
CID 119438206
N-(4-tert-butylphenyl)-3-(ethylamino)propane-1-sulfonamide
CID 106057303
4-tert-butyl-N-(4-carbamoylphenyl)benzamide
CID 3252757
N-[4-(tert-butylamino)phenyl]propane-1-sulfonamide
CID 112984927
N,N'-bis[4-[(4-tert-butylbenzoyl)amino]phenyl]pentanediamide
CID 17235324
N-[4-(hydrazinecarbonyl)phenyl]pentane-1-sulfonamide
CID 67849300
4-(tert-butylsulfonylamino)-N-[4-(2-hydroxypropan-2-yl)phenyl]benzamide
CID 20629931
N-[4-(3,3,3-trifluoropropanoyl)phenyl]propane-1-sulfonamide
CID 43161175

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-4-(propylsulfonylamino)benzamide?
The IUPAC name of N-(4-tert-butylphenyl)-4-(propylsulfonylamino)benzamide (CID 142682977) is N-(4-tert-butylphenyl)-4-(propylsulfonylamino)benzamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-4-(propylsulfonylamino)benzamide?
The canonical SMILES for N-(4-tert-butylphenyl)-4-(propylsulfonylamino)benzamide is CCCS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-4-(propylsulfonylamino)benzamide?
The InChIKey is DXPWQEBIFYDFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-5-14-26(24,25)22-18-10-6-15(7-11-18)19(23)21-17-12-8-16(9-13-17)20(2,3)4/h6-13,22H,5,14H2,1-4H3,(H,21,23).
What are the key properties of N-(4-tert-butylphenyl)-4-(propylsulfonylamino)benzamide?
N-(4-tert-butylphenyl)-4-(propylsulfonylamino)benzamide has a molecular weight of 374.51 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-4-(propylsulfonylamino)benzamide is sourced from PubChem (CID 142682977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).