N-[3-(4-fluorophenyl)sulfanylpropyl]-4-(propan-2-ylcarbamoylamino)benzamide

C20H24FN3O2S — CID 55821516

IUPACN-[3-(4-fluorophenyl)sulfanylpropyl]-4-(propan-2-ylcarbamoylamino)benzamide
SMILESCC(C)NC(=O)Nc1ccc(C(=O)NCCCSc2ccc(F)cc2)cc1
InChIInChI=1S/C20H24FN3O2S/c1-14(2)23-20(26)24-17-8-4-15(5-9-17)19(25)22-12-3-13-27-18-10-6-16(21)7-11-18/h4-11,14H,3,12-13H2,1-2H3,(H,22,25)(H2,23,24,26)
InChIKeyZAZNTBAXHCSSAU-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.27
Rot. Bonds8

About N-[3-(4-fluorophenyl)sulfanylpropyl]-4-(propan-2-ylcarbamoylamino)benzamide

N-[3-(4-fluorophenyl)sulfanylpropyl]-4-(propan-2-ylcarbamoylamino)benzamide (PubChem CID 55821516) has the molecular formula C20H24FN3O2S and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)sulfanylpropyl]-4-(propan-2-ylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)sulfanylpropyl]-4-(propan-2-ylcarbamoylamino)benzamide
PubChem CID55821516
Molecular FormulaC20H24FN3O2S
Molecular Weight389.50 g/mol
Exact Mass389.16
IUPAC NameN-[3-(4-fluorophenyl)sulfanylpropyl]-4-(propan-2-ylcarbamoylamino)benzamide
SMILESCC(C)NC(=O)Nc1ccc(C(=O)NCCCSc2ccc(F)cc2)cc1
InChIInChI=1S/C20H24FN3O2S/c1-14(2)23-20(26)24-17-8-4-15(5-9-17)19(25)22-12-3-13-27-18-10-6-16(21)7-11-18/h4-11,14H,3,12-13H2,1-2H3,(H,22,25)(H2,23,24,26)
InChIKeyZAZNTBAXHCSSAU-UHFFFAOYSA-N
XLogP4.27
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-N-[3-(4-fluorophenyl)sulfanylpropyl]benzene-1,4-dicarboxamide
CID 30860863
N-[3-(methylamino)propyl]-4-(propan-2-ylcarbamoylamino)benzamide
CID 119432618
N-(3-phenylsulfanylpropyl)-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 9156837
2-(4-acetamidophenyl)sulfanyl-N-[3-(4-fluorophenyl)sulfanylpropyl]propanamide
CID 55834214
N-(2-aminoethyl)-4-(propan-2-ylcarbamoylamino)benzamide;hydrochloride
CID 119384323
3-benzamido-N-[3-(4-fluorophenyl)sulfanylpropyl]-4-methylbenzamide
CID 46410167
2-amino-N-[3-(4-fluorophenyl)sulfanylpropyl]propanamide;hydrochloride
CID 119268290
N-[3-(4-fluorophenyl)sulfanylpropyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 26635661
4-[2-[[4-(propan-2-ylcarbamoylamino)benzoyl]amino]ethyl]benzoic acid
CID 119168848
N-[3-(4-fluorophenyl)sulfanylpropyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide
CID 26635919
4-(propan-2-ylcarbamoylamino)-N-(3-quinolin-8-yloxypropyl)benzamide
CID 56535262
3-(difluoromethoxy)-N-[3-(4-fluorophenyl)sulfanylpropyl]-4-methoxybenzamide
CID 55741143

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)sulfanylpropyl]-4-(propan-2-ylcarbamoylamino)benzamide?
The IUPAC name of N-[3-(4-fluorophenyl)sulfanylpropyl]-4-(propan-2-ylcarbamoylamino)benzamide (CID 55821516) is N-[3-(4-fluorophenyl)sulfanylpropyl]-4-(propan-2-ylcarbamoylamino)benzamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)sulfanylpropyl]-4-(propan-2-ylcarbamoylamino)benzamide?
The canonical SMILES for N-[3-(4-fluorophenyl)sulfanylpropyl]-4-(propan-2-ylcarbamoylamino)benzamide is CC(C)NC(=O)Nc1ccc(C(=O)NCCCSc2ccc(F)cc2)cc1.
What is the InChIKey of N-[3-(4-fluorophenyl)sulfanylpropyl]-4-(propan-2-ylcarbamoylamino)benzamide?
The InChIKey is ZAZNTBAXHCSSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2S/c1-14(2)23-20(26)24-17-8-4-15(5-9-17)19(25)22-12-3-13-27-18-10-6-16(21)7-11-18/h4-11,14H,3,12-13H2,1-2H3,(H,22,25)(H2,23,24,26).
What are the key properties of N-[3-(4-fluorophenyl)sulfanylpropyl]-4-(propan-2-ylcarbamoylamino)benzamide?
N-[3-(4-fluorophenyl)sulfanylpropyl]-4-(propan-2-ylcarbamoylamino)benzamide has a molecular weight of 389.50 g/mol, XLogP of 4.27, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)sulfanylpropyl]-4-(propan-2-ylcarbamoylamino)benzamide is sourced from PubChem (CID 55821516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).