N-(6-methylheptan-2-yl)-2-phenyl-2-phenylsulfanylacetamide

C22H29NOS — CID 2914171

IUPACN-(6-methylheptan-2-yl)-2-phenyl-2-phenylsulfanylacetamide
SMILESCC(C)CCCC(C)NC(=O)C(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C22H29NOS/c1-17(2)11-10-12-18(3)23-22(24)21(19-13-6-4-7-14-19)25-20-15-8-5-9-16-20/h4-9,13-18,21H,10-12H2,1-3H3,(H,23,24)
InChIKeyHXWPYCIMJMUQQY-UHFFFAOYSA-N
MW355.55 g/mol
LogP5.85
Rot. Bonds9

About N-(6-methylheptan-2-yl)-2-phenyl-2-phenylsulfanylacetamide

N-(6-methylheptan-2-yl)-2-phenyl-2-phenylsulfanylacetamide (PubChem CID 2914171) has the molecular formula C22H29NOS and a molecular weight of 355.55 g/mol. Its IUPAC name is N-(6-methylheptan-2-yl)-2-phenyl-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(6-methylheptan-2-yl)-2-phenyl-2-phenylsulfanylacetamide
PubChem CID2914171
Molecular FormulaC22H29NOS
Molecular Weight355.55 g/mol
Exact Mass355.20
IUPAC NameN-(6-methylheptan-2-yl)-2-phenyl-2-phenylsulfanylacetamide
SMILESCC(C)CCCC(C)NC(=O)C(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C22H29NOS/c1-17(2)11-10-12-18(3)23-22(24)21(19-13-6-4-7-14-19)25-20-15-8-5-9-16-20/h4-9,13-18,21H,10-12H2,1-3H3,(H,23,24)
InChIKeyHXWPYCIMJMUQQY-UHFFFAOYSA-N
XLogP5.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.55
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[(2S)-heptan-2-yl]-2-phenyl-2-phenylsulfanylacetamide
CID 7026339
N-[2-(methylamino)propyl]-2-phenyl-2-phenylsulfanylacetamide;hydrochloride
CID 120831508
(2R)-N-ethyl-2-[[(2R)-2-phenyl-2-phenylsulfanylacetyl]amino]propanamide
CID 39964892
(2S,3S)-3-hydroxy-2-[[(2S)-2-phenyl-2-phenylsulfanylacetyl]amino]butanoic acid
CID 25491475
5-[(2-phenyl-2-phenylsulfanylacetyl)amino]pentanoic acid
CID 119234592
N-[1-(4-ethylphenyl)ethyl]-2-phenyl-2-phenylsulfanylacetamide
CID 4511701
(2S)-N-benzyl-2-phenyl-2-phenylsulfanylacetamide
CID 1371457
N,N-bis(2-methylpropyl)-2-phenyl-2-phenylsulfanylacetamide
CID 5102974
2-methyl-N-[4-[(2-phenyl-2-phenylsulfanylacetyl)amino]phenyl]propanamide
CID 43000405
N-(2-phenoxyethyl)-2-phenyl-2-phenylsulfanylacetamide
CID 16547374
N-[2-(diethylamino)ethyl]-2-phenyl-2-phenylsulfanylacetamide
CID 112759820
(2S)-N,2-diphenyl-2-phenylsulfanylacetamide
CID 821034

Frequently Asked Questions

What is the IUPAC name of N-(6-methylheptan-2-yl)-2-phenyl-2-phenylsulfanylacetamide?
The IUPAC name of N-(6-methylheptan-2-yl)-2-phenyl-2-phenylsulfanylacetamide (CID 2914171) is N-(6-methylheptan-2-yl)-2-phenyl-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(6-methylheptan-2-yl)-2-phenyl-2-phenylsulfanylacetamide?
The canonical SMILES for N-(6-methylheptan-2-yl)-2-phenyl-2-phenylsulfanylacetamide is CC(C)CCCC(C)NC(=O)C(Sc1ccccc1)c1ccccc1.
What is the InChIKey of N-(6-methylheptan-2-yl)-2-phenyl-2-phenylsulfanylacetamide?
The InChIKey is HXWPYCIMJMUQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NOS/c1-17(2)11-10-12-18(3)23-22(24)21(19-13-6-4-7-14-19)25-20-15-8-5-9-16-20/h4-9,13-18,21H,10-12H2,1-3H3,(H,23,24).
What are the key properties of N-(6-methylheptan-2-yl)-2-phenyl-2-phenylsulfanylacetamide?
N-(6-methylheptan-2-yl)-2-phenyl-2-phenylsulfanylacetamide has a molecular weight of 355.55 g/mol, XLogP of 5.85, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylheptan-2-yl)-2-phenyl-2-phenylsulfanylacetamide is sourced from PubChem (CID 2914171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).