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

C23H30N2OS — CID 55527708

IUPACN-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-phenylsulfanylpropanamide
SMILESCN(Cc1ccccc1NC(=O)CCSc1ccccc1)C1CCCCC1
InChIInChI=1S/C23H30N2OS/c1-25(20-11-4-2-5-12-20)18-19-10-8-9-15-22(19)24-23(26)16-17-27-21-13-6-3-7-14-21/h3,6-10,13-15,20H,2,4-5,11-12,16-18H2,1H3,(H,24,26)
InChIKeyJCCKERSBNKVDDT-UHFFFAOYSA-N
MW382.57 g/mol
LogP5.57
Rot. Bonds8

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

N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-phenylsulfanylpropanamide (PubChem CID 55527708) has the molecular formula C23H30N2OS and a molecular weight of 382.57 g/mol. Its IUPAC name is N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-phenylsulfanylpropanamide
PubChem CID55527708
Molecular FormulaC23H30N2OS
Molecular Weight382.57 g/mol
Exact Mass382.21
IUPAC NameN-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-phenylsulfanylpropanamide
SMILESCN(Cc1ccccc1NC(=O)CCSc1ccccc1)C1CCCCC1
InChIInChI=1S/C23H30N2OS/c1-25(20-11-4-2-5-12-20)18-19-10-8-9-15-22(19)24-23(26)16-17-27-21-13-6-3-7-14-21/h3,6-10,13-15,20H,2,4-5,11-12,16-18H2,1H3,(H,24,26)
InChIKeyJCCKERSBNKVDDT-UHFFFAOYSA-N
XLogP5.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.57
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-(2-fluorophenyl)sulfanylpropanamide
CID 52556439
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N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111432249
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(2-methoxyphenyl)acetamide
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cis-(1S,2R)-2-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 166254818
N-methyl-N-(2-phenylsulfanylethyl)cyclohexanamine
CID 78962138
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-phenoxypropanamide
CID 42940630
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(3,5-dimethylphenoxy)acetamide
CID 18146366
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-ethylbenzamide
CID 18158678
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CID 46554715
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-5-oxopyrrolidine-2-carboxamide
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CID 111336789

Frequently Asked Questions

What is the IUPAC name of N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-phenylsulfanylpropanamide?
The IUPAC name of N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-phenylsulfanylpropanamide (CID 55527708) is N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-phenylsulfanylpropanamide?
The canonical SMILES for N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-phenylsulfanylpropanamide is CN(Cc1ccccc1NC(=O)CCSc1ccccc1)C1CCCCC1.
What is the InChIKey of N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-phenylsulfanylpropanamide?
The InChIKey is JCCKERSBNKVDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2OS/c1-25(20-11-4-2-5-12-20)18-19-10-8-9-15-22(19)24-23(26)16-17-27-21-13-6-3-7-14-21/h3,6-10,13-15,20H,2,4-5,11-12,16-18H2,1H3,(H,24,26).
What are the key properties of N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-phenylsulfanylpropanamide?
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-phenylsulfanylpropanamide has a molecular weight of 382.57 g/mol, XLogP of 5.57, 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-phenylsulfanylpropanamide is sourced from PubChem (CID 55527708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).