N,N-dicyclohexyl-2-phenyl-2-phenylsulfanylacetamide

C26H33NOS — CID 4055742

IUPACN,N-dicyclohexyl-2-phenyl-2-phenylsulfanylacetamide
SMILESO=C(C(Sc1ccccc1)c1ccccc1)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C26H33NOS/c28-26(27(22-15-7-2-8-16-22)23-17-9-3-10-18-23)25(21-13-5-1-6-14-21)29-24-19-11-4-12-20-24/h1,4-6,11-14,19-20,22-23,25H,2-3,7-10,15-18H2
InChIKeyUHOBWNJUPVBTEW-UHFFFAOYSA-N
MW407.62 g/mol
LogP7.01
Rot. Bonds6

About N,N-dicyclohexyl-2-phenyl-2-phenylsulfanylacetamide

N,N-dicyclohexyl-2-phenyl-2-phenylsulfanylacetamide (PubChem CID 4055742) has the molecular formula C26H33NOS and a molecular weight of 407.62 g/mol. Its IUPAC name is N,N-dicyclohexyl-2-phenyl-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN,N-dicyclohexyl-2-phenyl-2-phenylsulfanylacetamide
PubChem CID4055742
Molecular FormulaC26H33NOS
Molecular Weight407.62 g/mol
Exact Mass407.23
IUPAC NameN,N-dicyclohexyl-2-phenyl-2-phenylsulfanylacetamide
SMILESO=C(C(Sc1ccccc1)c1ccccc1)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C26H33NOS/c28-26(27(22-15-7-2-8-16-22)23-17-9-3-10-18-23)25(21-13-5-1-6-14-21)29-24-19-11-4-12-20-24/h1,4-6,11-14,19-20,22-23,25H,2-3,7-10,15-18H2
InChIKeyUHOBWNJUPVBTEW-UHFFFAOYSA-N
XLogP7.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.62
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-ethyl-N,2-diphenyl-2-phenylsulfanylacetamide
CID 884563
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-phenyl-2-phenylsulfanylacetamide
CID 51274597
(2R)-N-methyl-N,2-diphenyl-2-phenylsulfanylacetamide
CID 821073
N-methyl-2-phenyl-2-phenylsulfanyl-N-propan-2-ylacetamide
CID 78844000
(2S)-2-phenyl-2-phenylsulfanylacetate
CID 7345805
N,N-bis(2-methylpropyl)-2-phenyl-2-phenylsulfanylacetamide
CID 5102974
2-phenyl-2-phenylsulfanyl-N,N-dipropylacetamide
CID 3702485
N-cyclohexyl-N-ethyl-2,2-diphenylacetamide
CID 21210383
S-phenyl 2-phenyl-2-phenylsulfanylethanethioate
CID 12597831
(2R)-2-amino-N-cyclohexyl-N-ethyl-2-phenylacetamide
CID 61148081
[2-(4-cyclohexylphenyl)-2-oxoethyl] (2R)-2-phenyl-2-phenylsulfanylacetate
CID 25425940
1-(4-aminopiperidin-1-yl)-2-phenyl-2-phenylsulfanylethanone
CID 119372814

Frequently Asked Questions

What is the IUPAC name of N,N-dicyclohexyl-2-phenyl-2-phenylsulfanylacetamide?
The IUPAC name of N,N-dicyclohexyl-2-phenyl-2-phenylsulfanylacetamide (CID 4055742) is N,N-dicyclohexyl-2-phenyl-2-phenylsulfanylacetamide.
What is the SMILES notation for N,N-dicyclohexyl-2-phenyl-2-phenylsulfanylacetamide?
The canonical SMILES for N,N-dicyclohexyl-2-phenyl-2-phenylsulfanylacetamide is O=C(C(Sc1ccccc1)c1ccccc1)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of N,N-dicyclohexyl-2-phenyl-2-phenylsulfanylacetamide?
The InChIKey is UHOBWNJUPVBTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33NOS/c28-26(27(22-15-7-2-8-16-22)23-17-9-3-10-18-23)25(21-13-5-1-6-14-21)29-24-19-11-4-12-20-24/h1,4-6,11-14,19-20,22-23,25H,2-3,7-10,15-18H2.
What are the key properties of N,N-dicyclohexyl-2-phenyl-2-phenylsulfanylacetamide?
N,N-dicyclohexyl-2-phenyl-2-phenylsulfanylacetamide has a molecular weight of 407.62 g/mol, XLogP of 7.01, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicyclohexyl-2-phenyl-2-phenylsulfanylacetamide is sourced from PubChem (CID 4055742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).