4-tert-butyl-N-[3-[3-(dimethylsulfamoyl)anilino]-3-oxopropyl]benzamide

C22H29N3O4S — CID 26654085

IUPAC4-tert-butyl-N-[3-[3-(dimethylsulfamoyl)anilino]-3-oxopropyl]benzamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)CCNC(=O)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C22H29N3O4S/c1-22(2,3)17-11-9-16(10-12-17)21(27)23-14-13-20(26)24-18-7-6-8-19(15-18)30(28,29)25(4)5/h6-12,15H,13-14H2,1-5H3,(H,23,27)(H,24,26)
InChIKeyBRLBXSWOOXYARM-UHFFFAOYSA-N
MW431.56 g/mol
LogP2.99
Rot. Bonds7

About 4-tert-butyl-N-[3-[3-(dimethylsulfamoyl)anilino]-3-oxopropyl]benzamide

4-tert-butyl-N-[3-[3-(dimethylsulfamoyl)anilino]-3-oxopropyl]benzamide (PubChem CID 26654085) has the molecular formula C22H29N3O4S and a molecular weight of 431.56 g/mol. Its IUPAC name is 4-tert-butyl-N-[3-[3-(dimethylsulfamoyl)anilino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[3-[3-(dimethylsulfamoyl)anilino]-3-oxopropyl]benzamide
PubChem CID26654085
Molecular FormulaC22H29N3O4S
Molecular Weight431.56 g/mol
Exact Mass431.19
IUPAC Name4-tert-butyl-N-[3-[3-(dimethylsulfamoyl)anilino]-3-oxopropyl]benzamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)CCNC(=O)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C22H29N3O4S/c1-22(2,3)17-11-9-16(10-12-17)21(27)23-14-13-20(26)24-18-7-6-8-19(15-18)30(28,29)25(4)5/h6-12,15H,13-14H2,1-5H3,(H,23,27)(H,24,26)
InChIKeyBRLBXSWOOXYARM-UHFFFAOYSA-N
XLogP2.99
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-3-(dimethylsulfamoyl)benzamide
CID 100625475
4-tert-butyl-N-[3-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-3-oxopropyl]benzamide
CID 26421713
4-tert-butyl-N-[(2R)-1-[3-(dimethylsulfamoyl)anilino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 26917326
N-[3-[3-(diethylsulfamoyl)anilino]-3-oxopropyl]-4-nitrobenzamide
CID 4850051
N-[3-(dimethylsulfamoyl)phenyl]-4-(methylamino)butanamide;hydrochloride
CID 119672919
4-amino-N-[3-(dimethylsulfamoyl)phenyl]butanamide
CID 43707686
1-(4-tert-butylphenyl)-3-[3-(dimethylsulfamoyl)phenyl]thiourea
CID 46800335
N-[2-(4-tert-butylphenoxy)ethyl]-3-(dimethylsulfamoyl)benzamide
CID 27861724
4-bromo-N-[3-[3-(dimethylsulfamoyl)-4-methylanilino]-3-oxopropyl]benzamide
CID 26774195
5-chloro-N-[3-(dimethylsulfamoyl)phenyl]pentanamide
CID 43346819
N-[3-(dimethylsulfamoyl)phenyl]-4-methylsulfonylbenzamide
CID 9093665
3-[(4-bromophenyl)sulfonylamino]-N-[3-(dimethylsulfamoyl)phenyl]propanamide
CID 26644643

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[3-[3-(dimethylsulfamoyl)anilino]-3-oxopropyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[3-[3-(dimethylsulfamoyl)anilino]-3-oxopropyl]benzamide (CID 26654085) is 4-tert-butyl-N-[3-[3-(dimethylsulfamoyl)anilino]-3-oxopropyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[3-[3-(dimethylsulfamoyl)anilino]-3-oxopropyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[3-[3-(dimethylsulfamoyl)anilino]-3-oxopropyl]benzamide is CN(C)S(=O)(=O)c1cccc(NC(=O)CCNC(=O)c2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of 4-tert-butyl-N-[3-[3-(dimethylsulfamoyl)anilino]-3-oxopropyl]benzamide?
The InChIKey is BRLBXSWOOXYARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4S/c1-22(2,3)17-11-9-16(10-12-17)21(27)23-14-13-20(26)24-18-7-6-8-19(15-18)30(28,29)25(4)5/h6-12,15H,13-14H2,1-5H3,(H,23,27)(H,24,26).
What are the key properties of 4-tert-butyl-N-[3-[3-(dimethylsulfamoyl)anilino]-3-oxopropyl]benzamide?
4-tert-butyl-N-[3-[3-(dimethylsulfamoyl)anilino]-3-oxopropyl]benzamide has a molecular weight of 431.56 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[3-[3-(dimethylsulfamoyl)anilino]-3-oxopropyl]benzamide is sourced from PubChem (CID 26654085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).