N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-(2-fluorophenyl)sulfanylpropanamide

C23H29FN2OS — CID 52556439

IUPACN-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-(2-fluorophenyl)sulfanylpropanamide
SMILESCN(Cc1ccccc1NC(=O)CCSc1ccccc1F)C1CCCCC1
InChIInChI=1S/C23H29FN2OS/c1-26(19-10-3-2-4-11-19)17-18-9-5-7-13-21(18)25-23(27)15-16-28-22-14-8-6-12-20(22)24/h5-9,12-14,19H,2-4,10-11,15-17H2,1H3,(H,25,27)
InChIKeyBKVOIIWPMBEPAV-UHFFFAOYSA-N
MW400.56 g/mol
LogP5.71
Rot. Bonds8

About N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-(2-fluorophenyl)sulfanylpropanamide

N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-(2-fluorophenyl)sulfanylpropanamide (PubChem CID 52556439) has the molecular formula C23H29FN2OS and a molecular weight of 400.56 g/mol. Its IUPAC name is N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-(2-fluorophenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-(2-fluorophenyl)sulfanylpropanamide
PubChem CID52556439
Molecular FormulaC23H29FN2OS
Molecular Weight400.56 g/mol
Exact Mass400.20
IUPAC NameN-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-(2-fluorophenyl)sulfanylpropanamide
SMILESCN(Cc1ccccc1NC(=O)CCSc1ccccc1F)C1CCCCC1
InChIInChI=1S/C23H29FN2OS/c1-26(19-10-3-2-4-11-19)17-18-9-5-7-13-21(18)25-23(27)15-16-28-22-14-8-6-12-20(22)24/h5-9,12-14,19H,2-4,10-11,15-17H2,1H3,(H,25,27)
InChIKeyBKVOIIWPMBEPAV-UHFFFAOYSA-N
XLogP5.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.56
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-phenylsulfanylpropanamide
CID 55527708
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CID 97088995
3-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-1-[1-(2-fluorophenyl)ethyl]-1-methylurea
CID 55816833
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(2-methoxyphenyl)acetamide
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4-[2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-2-oxoethyl]sulfanyl-3-nitrobenzamide
CID 31030423
2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide
CID 24510760
cis-(1S,2R)-2-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]carbamoyl]cyclobutane-1-carboxylic acid
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N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-phenoxypropanamide
CID 42940630
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55924367
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(3,5-dimethylphenoxy)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-(2-fluorophenyl)sulfanylpropanamide?
The IUPAC name of N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-(2-fluorophenyl)sulfanylpropanamide (CID 52556439) is N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-(2-fluorophenyl)sulfanylpropanamide.
What is the SMILES notation for N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-(2-fluorophenyl)sulfanylpropanamide?
The canonical SMILES for N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-(2-fluorophenyl)sulfanylpropanamide is CN(Cc1ccccc1NC(=O)CCSc1ccccc1F)C1CCCCC1.
What is the InChIKey of N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-(2-fluorophenyl)sulfanylpropanamide?
The InChIKey is BKVOIIWPMBEPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN2OS/c1-26(19-10-3-2-4-11-19)17-18-9-5-7-13-21(18)25-23(27)15-16-28-22-14-8-6-12-20(22)24/h5-9,12-14,19H,2-4,10-11,15-17H2,1H3,(H,25,27).
What are the key properties of N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-(2-fluorophenyl)sulfanylpropanamide?
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-(2-fluorophenyl)sulfanylpropanamide has a molecular weight of 400.56 g/mol, XLogP of 5.71, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-(2-fluorophenyl)sulfanylpropanamide is sourced from PubChem (CID 52556439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).