N-[1-(4-tert-butylphenyl)ethyl]-3-(methylsulfamoyl)benzamide

C20H26N2O3S — CID 133231293

IUPACN-[1-(4-tert-butylphenyl)ethyl]-3-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cccc(C(=O)NC(C)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C20H26N2O3S/c1-14(15-9-11-17(12-10-15)20(2,3)4)22-19(23)16-7-6-8-18(13-16)26(24,25)21-5/h6-14,21H,1-5H3,(H,22,23)
InChIKeyHZWNKNNRKMBBSM-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.38
Rot. Bonds5

About N-[1-(4-tert-butylphenyl)ethyl]-3-(methylsulfamoyl)benzamide

N-[1-(4-tert-butylphenyl)ethyl]-3-(methylsulfamoyl)benzamide (PubChem CID 133231293) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-[1-(4-tert-butylphenyl)ethyl]-3-(methylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[1-(4-tert-butylphenyl)ethyl]-3-(methylsulfamoyl)benzamide
PubChem CID133231293
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC NameN-[1-(4-tert-butylphenyl)ethyl]-3-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cccc(C(=O)NC(C)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C20H26N2O3S/c1-14(15-9-11-17(12-10-15)20(2,3)4)22-19(23)16-7-6-8-18(13-16)26(24,25)21-5/h6-14,21H,1-5H3,(H,22,23)
InChIKeyHZWNKNNRKMBBSM-UHFFFAOYSA-N
XLogP3.38
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(methylsulfamoyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 46449027
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(methylsulfamoyl)benzamide
CID 51177532
N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(methylsulfamoyl)benzamide
CID 40953695
N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-3-(methylsulfamoyl)benzamide
CID 42919490
3-(prop-2-ynylsulfamoyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 43062333
N-[(1R)-1-[4-[(3R)-3-methylpiperidin-1-yl]phenyl]ethyl]-3-(methylsulfamoyl)benzamide
CID 100622287
N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 9410285
4-(methylsulfamoyl)-N-(1-naphthalen-2-ylethyl)benzamide
CID 51220036
N-[3-(4-tert-butylbenzoyl)phenyl]-3-(methylsulfamoyl)benzamide
CID 100621284
N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 55893509
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(methylsulfamoyl)benzamide
CID 51537719
2-amino-2-methyl-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]propanamide;hydrochloride
CID 119316349

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-tert-butylphenyl)ethyl]-3-(methylsulfamoyl)benzamide?
The IUPAC name of N-[1-(4-tert-butylphenyl)ethyl]-3-(methylsulfamoyl)benzamide (CID 133231293) is N-[1-(4-tert-butylphenyl)ethyl]-3-(methylsulfamoyl)benzamide.
What is the SMILES notation for N-[1-(4-tert-butylphenyl)ethyl]-3-(methylsulfamoyl)benzamide?
The canonical SMILES for N-[1-(4-tert-butylphenyl)ethyl]-3-(methylsulfamoyl)benzamide is CNS(=O)(=O)c1cccc(C(=O)NC(C)c2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of N-[1-(4-tert-butylphenyl)ethyl]-3-(methylsulfamoyl)benzamide?
The InChIKey is HZWNKNNRKMBBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-14(15-9-11-17(12-10-15)20(2,3)4)22-19(23)16-7-6-8-18(13-16)26(24,25)21-5/h6-14,21H,1-5H3,(H,22,23).
What are the key properties of N-[1-(4-tert-butylphenyl)ethyl]-3-(methylsulfamoyl)benzamide?
N-[1-(4-tert-butylphenyl)ethyl]-3-(methylsulfamoyl)benzamide has a molecular weight of 374.51 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-tert-butylphenyl)ethyl]-3-(methylsulfamoyl)benzamide is sourced from PubChem (CID 133231293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).