N-[2-[(4-tert-butylbenzoyl)amino]phenyl]-5-(ethylsulfamoyl)-2-methylbenzamide

C27H31N3O4S — CID 31971087

IUPACN-[2-[(4-tert-butylbenzoyl)amino]phenyl]-5-(ethylsulfamoyl)-2-methylbenzamide
SMILESCCNS(=O)(=O)c1ccc(C)c(C(=O)Nc2ccccc2NC(=O)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C27H31N3O4S/c1-6-28-35(33,34)21-16-11-18(2)22(17-21)26(32)30-24-10-8-7-9-23(24)29-25(31)19-12-14-20(15-13-19)27(3,4)5/h7-17,28H,6H2,1-5H3,(H,29,31)(H,30,32)
InChIKeyIVXMPKSGYGNBQX-UHFFFAOYSA-N
MW493.63 g/mol
LogP5.10
Rot. Bonds7

About N-[2-[(4-tert-butylbenzoyl)amino]phenyl]-5-(ethylsulfamoyl)-2-methylbenzamide

N-[2-[(4-tert-butylbenzoyl)amino]phenyl]-5-(ethylsulfamoyl)-2-methylbenzamide (PubChem CID 31971087) has the molecular formula C27H31N3O4S and a molecular weight of 493.63 g/mol. Its IUPAC name is N-[2-[(4-tert-butylbenzoyl)amino]phenyl]-5-(ethylsulfamoyl)-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-[(4-tert-butylbenzoyl)amino]phenyl]-5-(ethylsulfamoyl)-2-methylbenzamide
PubChem CID31971087
Molecular FormulaC27H31N3O4S
Molecular Weight493.63 g/mol
Exact Mass493.20
IUPAC NameN-[2-[(4-tert-butylbenzoyl)amino]phenyl]-5-(ethylsulfamoyl)-2-methylbenzamide
SMILESCCNS(=O)(=O)c1ccc(C)c(C(=O)Nc2ccccc2NC(=O)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C27H31N3O4S/c1-6-28-35(33,34)21-16-11-18(2)22(17-21)26(32)30-24-10-8-7-9-23(24)29-25(31)19-12-14-20(15-13-19)27(3,4)5/h7-17,28H,6H2,1-5H3,(H,29,31)(H,30,32)
InChIKeyIVXMPKSGYGNBQX-UHFFFAOYSA-N
XLogP5.10
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.63
LogP ≤ 55.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-5-(ethylsulfamoyl)-2-methylbenzamide
CID 35345609
N-[2-(ethylaminomethyl)phenyl]-5-(ethylsulfamoyl)-2-methylbenzamide
CID 119438951
N-[2-(ethylaminomethyl)phenyl]-5-(ethylsulfamoyl)-2-methylbenzamide;hydrochloride
CID 119438950
N-(5-chloro-2-methylphenyl)-5-(ethylsulfamoyl)-2-methylbenzamide
CID 43007142
5-(ethylsulfamoyl)-N,2-dimethylbenzamide
CID 6461284
N-[2-(4-ethoxyphenoxy)phenyl]-5-(ethylsulfamoyl)-2-methylbenzamide
CID 39971961
5-(ethylsulfamoyl)-2-methyl-N-(3-methyl-2-pyridinyl)benzamide
CID 35033520
5-(ethylsulfamoyl)-2-methyl-N-(2,4,5-trimethoxy-3-methylphenyl)benzamide
CID 100636430
N-[2-[(2-chlorobenzoyl)amino]ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide
CID 55659290
5-(ethylsulfamoyl)-2-methyl-N-propan-2-ylbenzamide
CID 27648413
N-(2-aminoethyl)-5-(ethylsulfamoyl)-2-methylbenzamide
CID 119382412
N-(4-chloro-2-methoxy-5-methylphenyl)-5-(ethylsulfamoyl)-2-methylbenzamide
CID 46799014

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-tert-butylbenzoyl)amino]phenyl]-5-(ethylsulfamoyl)-2-methylbenzamide?
The IUPAC name of N-[2-[(4-tert-butylbenzoyl)amino]phenyl]-5-(ethylsulfamoyl)-2-methylbenzamide (CID 31971087) is N-[2-[(4-tert-butylbenzoyl)amino]phenyl]-5-(ethylsulfamoyl)-2-methylbenzamide.
What is the SMILES notation for N-[2-[(4-tert-butylbenzoyl)amino]phenyl]-5-(ethylsulfamoyl)-2-methylbenzamide?
The canonical SMILES for N-[2-[(4-tert-butylbenzoyl)amino]phenyl]-5-(ethylsulfamoyl)-2-methylbenzamide is CCNS(=O)(=O)c1ccc(C)c(C(=O)Nc2ccccc2NC(=O)c2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of N-[2-[(4-tert-butylbenzoyl)amino]phenyl]-5-(ethylsulfamoyl)-2-methylbenzamide?
The InChIKey is IVXMPKSGYGNBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O4S/c1-6-28-35(33,34)21-16-11-18(2)22(17-21)26(32)30-24-10-8-7-9-23(24)29-25(31)19-12-14-20(15-13-19)27(3,4)5/h7-17,28H,6H2,1-5H3,(H,29,31)(H,30,32).
What are the key properties of N-[2-[(4-tert-butylbenzoyl)amino]phenyl]-5-(ethylsulfamoyl)-2-methylbenzamide?
N-[2-[(4-tert-butylbenzoyl)amino]phenyl]-5-(ethylsulfamoyl)-2-methylbenzamide has a molecular weight of 493.63 g/mol, XLogP of 5.10, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-tert-butylbenzoyl)amino]phenyl]-5-(ethylsulfamoyl)-2-methylbenzamide is sourced from PubChem (CID 31971087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).