N-cyclohexyl-4-[[2-[(4-fluorophenyl)sulfonyl-methylamino]acetyl]amino]-3-methylbenzamide

C23H28FN3O4S — CID 55879550

IUPACN-cyclohexyl-4-[[2-[(4-fluorophenyl)sulfonyl-methylamino]acetyl]amino]-3-methylbenzamide
SMILESCc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)CN(C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C23H28FN3O4S/c1-16-14-17(23(29)25-19-6-4-3-5-7-19)8-13-21(16)26-22(28)15-27(2)32(30,31)20-11-9-18(24)10-12-20/h8-14,19H,3-7,15H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyFMZYPUFFCWJKQV-UHFFFAOYSA-N
MW461.56 g/mol
LogP3.46
Rot. Bonds7

About N-cyclohexyl-4-[[2-[(4-fluorophenyl)sulfonyl-methylamino]acetyl]amino]-3-methylbenzamide

N-cyclohexyl-4-[[2-[(4-fluorophenyl)sulfonyl-methylamino]acetyl]amino]-3-methylbenzamide (PubChem CID 55879550) has the molecular formula C23H28FN3O4S and a molecular weight of 461.56 g/mol. Its IUPAC name is N-cyclohexyl-4-[[2-[(4-fluorophenyl)sulfonyl-methylamino]acetyl]amino]-3-methylbenzamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[[2-[(4-fluorophenyl)sulfonyl-methylamino]acetyl]amino]-3-methylbenzamide
PubChem CID55879550
Molecular FormulaC23H28FN3O4S
Molecular Weight461.56 g/mol
Exact Mass461.18
IUPAC NameN-cyclohexyl-4-[[2-[(4-fluorophenyl)sulfonyl-methylamino]acetyl]amino]-3-methylbenzamide
SMILESCc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)CN(C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C23H28FN3O4S/c1-16-14-17(23(29)25-19-6-4-3-5-7-19)8-13-21(16)26-22(28)15-27(2)32(30,31)20-11-9-18(24)10-12-20/h8-14,19H,3-7,15H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyFMZYPUFFCWJKQV-UHFFFAOYSA-N
XLogP3.46
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.56
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-cyclohexyl-4-[[2-[(4-fluorophenyl)sulfonyl-methylamino]acetyl]amino]-3-methylbenzamide with MolForge

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Related Compounds

methyl N-[2-[4-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-methylcarbamate
CID 51121340
4-[(2-aminoacetyl)amino]-N-cyclohexyl-3-methylbenzamide;hydrochloride
CID 119283092
4-(4-aminobutanoylamino)-N-cyclohexyl-3-methylbenzamide
CID 119283103
N-[(2R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 124743858
N-cyclohexyl-3-methyl-4-[4-(methylamino)butanoylamino]benzamide;hydrochloride
CID 119711987
4-[[2-[(4-acetylphenyl)sulfonyl-methylamino]acetyl]amino]-N-cyclopropylbenzamide
CID 30601398
2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide
CID 100791052
N-cyclopentyl-4-(cyclopropylcarbamoylamino)-3-methylbenzamide
CID 48645772
N-cyclopentyl-4-(methanesulfonamido)-3-methylbenzamide
CID 41466640
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-cyclohexylacetamide
CID 2640186
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-cycloheptylacetamide
CID 26516511
4-(4-aminobutanoylamino)-N-cyclopentyl-3-methylbenzamide;hydrochloride
CID 119305977

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[[2-[(4-fluorophenyl)sulfonyl-methylamino]acetyl]amino]-3-methylbenzamide?
The IUPAC name of N-cyclohexyl-4-[[2-[(4-fluorophenyl)sulfonyl-methylamino]acetyl]amino]-3-methylbenzamide (CID 55879550) is N-cyclohexyl-4-[[2-[(4-fluorophenyl)sulfonyl-methylamino]acetyl]amino]-3-methylbenzamide.
What is the SMILES notation for N-cyclohexyl-4-[[2-[(4-fluorophenyl)sulfonyl-methylamino]acetyl]amino]-3-methylbenzamide?
The canonical SMILES for N-cyclohexyl-4-[[2-[(4-fluorophenyl)sulfonyl-methylamino]acetyl]amino]-3-methylbenzamide is Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)CN(C)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-cyclohexyl-4-[[2-[(4-fluorophenyl)sulfonyl-methylamino]acetyl]amino]-3-methylbenzamide?
The InChIKey is FMZYPUFFCWJKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O4S/c1-16-14-17(23(29)25-19-6-4-3-5-7-19)8-13-21(16)26-22(28)15-27(2)32(30,31)20-11-9-18(24)10-12-20/h8-14,19H,3-7,15H2,1-2H3,(H,25,29)(H,26,28).
What are the key properties of N-cyclohexyl-4-[[2-[(4-fluorophenyl)sulfonyl-methylamino]acetyl]amino]-3-methylbenzamide?
N-cyclohexyl-4-[[2-[(4-fluorophenyl)sulfonyl-methylamino]acetyl]amino]-3-methylbenzamide has a molecular weight of 461.56 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[[2-[(4-fluorophenyl)sulfonyl-methylamino]acetyl]amino]-3-methylbenzamide is sourced from PubChem (CID 55879550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).