N-[3-[4-(cyclohexylsulfamoyl)anilino]-3-oxopropyl]-3-methylbenzamide

C23H29N3O4S — CID 17191539

IUPACN-[3-[4-(cyclohexylsulfamoyl)anilino]-3-oxopropyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCCC(=O)Nc2ccc(S(=O)(=O)NC3CCCCC3)cc2)c1
InChIInChI=1S/C23H29N3O4S/c1-17-6-5-7-18(16-17)23(28)24-15-14-22(27)25-19-10-12-21(13-11-19)31(29,30)26-20-8-3-2-4-9-20/h5-7,10-13,16,20,26H,2-4,8-9,14-15H2,1H3,(H,24,28)(H,25,27)
InChIKeyBPFWIQKZHJLKBH-UHFFFAOYSA-N
MW443.57 g/mol
LogP3.36
Rot. Bonds8

About N-[3-[4-(cyclohexylsulfamoyl)anilino]-3-oxopropyl]-3-methylbenzamide

N-[3-[4-(cyclohexylsulfamoyl)anilino]-3-oxopropyl]-3-methylbenzamide (PubChem CID 17191539) has the molecular formula C23H29N3O4S and a molecular weight of 443.57 g/mol. Its IUPAC name is N-[3-[4-(cyclohexylsulfamoyl)anilino]-3-oxopropyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[3-[4-(cyclohexylsulfamoyl)anilino]-3-oxopropyl]-3-methylbenzamide
PubChem CID17191539
Molecular FormulaC23H29N3O4S
Molecular Weight443.57 g/mol
Exact Mass443.19
IUPAC NameN-[3-[4-(cyclohexylsulfamoyl)anilino]-3-oxopropyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCCC(=O)Nc2ccc(S(=O)(=O)NC3CCCCC3)cc2)c1
InChIInChI=1S/C23H29N3O4S/c1-17-6-5-7-18(16-17)23(28)24-15-14-22(27)25-19-10-12-21(13-11-19)31(29,30)26-20-8-3-2-4-9-20/h5-7,10-13,16,20,26H,2-4,8-9,14-15H2,1H3,(H,24,28)(H,25,27)
InChIKeyBPFWIQKZHJLKBH-UHFFFAOYSA-N
XLogP3.36
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]-3-methylbenzamide
CID 108736298
3-methyl-N-[3-oxo-3-[4-(propylsulfamoyl)anilino]propyl]benzamide
CID 17191568
N-[3-(cyclopentylamino)-3-oxopropyl]-3-methylbenzamide
CID 17191350
N-[3-(cyclohexylamino)-3-oxopropyl]-3-(cyclopropylsulfamoyl)benzamide
CID 55951436
3-(benzenesulfonamido)-N-[4-(cyclohexylsulfamoyl)phenyl]propanamide
CID 17225977
N-[2-(cyclopentylsulfamoyl)ethyl]-3-methylbenzamide
CID 110345713
N,N'-bis[4-(cyclohexylsulfamoyl)phenyl]nonanediamide
CID 4629962
N-cyclohexyl-2-[3-[(3-methylbenzoyl)amino]propanoylamino]benzamide
CID 17191566
N-[3-(4-ethoxyanilino)-3-oxopropyl]-3-methylbenzamide
CID 17191376
N-[4-[[2-(cyclohexylamino)acetyl]amino]phenyl]-3-methylbenzamide
CID 54816361
3-(cyclopentylsulfamoyl)-N-ethylbenzamide
CID 30830540
3-(cyclopentylsulfamoyl)-N-(2-hydroxyethyl)benzamide
CID 78854342

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(cyclohexylsulfamoyl)anilino]-3-oxopropyl]-3-methylbenzamide?
The IUPAC name of N-[3-[4-(cyclohexylsulfamoyl)anilino]-3-oxopropyl]-3-methylbenzamide (CID 17191539) is N-[3-[4-(cyclohexylsulfamoyl)anilino]-3-oxopropyl]-3-methylbenzamide.
What is the SMILES notation for N-[3-[4-(cyclohexylsulfamoyl)anilino]-3-oxopropyl]-3-methylbenzamide?
The canonical SMILES for N-[3-[4-(cyclohexylsulfamoyl)anilino]-3-oxopropyl]-3-methylbenzamide is Cc1cccc(C(=O)NCCC(=O)Nc2ccc(S(=O)(=O)NC3CCCCC3)cc2)c1.
What is the InChIKey of N-[3-[4-(cyclohexylsulfamoyl)anilino]-3-oxopropyl]-3-methylbenzamide?
The InChIKey is BPFWIQKZHJLKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4S/c1-17-6-5-7-18(16-17)23(28)24-15-14-22(27)25-19-10-12-21(13-11-19)31(29,30)26-20-8-3-2-4-9-20/h5-7,10-13,16,20,26H,2-4,8-9,14-15H2,1H3,(H,24,28)(H,25,27).
What are the key properties of N-[3-[4-(cyclohexylsulfamoyl)anilino]-3-oxopropyl]-3-methylbenzamide?
N-[3-[4-(cyclohexylsulfamoyl)anilino]-3-oxopropyl]-3-methylbenzamide has a molecular weight of 443.57 g/mol, XLogP of 3.36, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(cyclohexylsulfamoyl)anilino]-3-oxopropyl]-3-methylbenzamide is sourced from PubChem (CID 17191539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).