N-methyl-2-phenyl-2-phenylsulfanyl-N-propan-2-ylacetamide

C18H21NOS — CID 78844000

IUPACN-methyl-2-phenyl-2-phenylsulfanyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)C(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C18H21NOS/c1-14(2)19(3)18(20)17(15-10-6-4-7-11-15)21-16-12-8-5-9-13-16/h4-14,17H,1-3H3
InChIKeyYQEMTZNRURAHHT-UHFFFAOYSA-N
MW299.44 g/mol
LogP4.39
Rot. Bonds5

About N-methyl-2-phenyl-2-phenylsulfanyl-N-propan-2-ylacetamide

N-methyl-2-phenyl-2-phenylsulfanyl-N-propan-2-ylacetamide (PubChem CID 78844000) has the molecular formula C18H21NOS and a molecular weight of 299.44 g/mol. Its IUPAC name is N-methyl-2-phenyl-2-phenylsulfanyl-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-methyl-2-phenyl-2-phenylsulfanyl-N-propan-2-ylacetamide
PubChem CID78844000
Molecular FormulaC18H21NOS
Molecular Weight299.44 g/mol
Exact Mass299.13
IUPAC NameN-methyl-2-phenyl-2-phenylsulfanyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)C(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C18H21NOS/c1-14(2)19(3)18(20)17(15-10-6-4-7-11-15)21-16-12-8-5-9-13-16/h4-14,17H,1-3H3
InChIKeyYQEMTZNRURAHHT-UHFFFAOYSA-N
XLogP4.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-methyl-N,2-diphenyl-2-phenylsulfanylacetamide
CID 821073
N,N-bis(2-methylpropyl)-2-phenyl-2-phenylsulfanylacetamide
CID 5102974
2-phenyl-2-phenylsulfanyl-N,N-dipropylacetamide
CID 3702485
(2R)-N-ethyl-N,2-diphenyl-2-phenylsulfanylacetamide
CID 884563
(2S)-2-phenyl-2-phenylsulfanylacetate
CID 7345805
N-[(2-fluorophenyl)methyl]-N-methyl-2-phenyl-2-phenylsulfanylacetamide
CID 112789886
2-amino-N-methyl-2-phenyl-N-propan-2-ylacetamide;hydrochloride
CID 75511591
S-phenyl 2-phenyl-2-phenylsulfanylethanethioate
CID 12597831
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-phenyl-2-phenylsulfanylacetamide
CID 51274597
(E)-4-hydroxy-3-[(R)-phenyl(phenylsulfanyl)methyl]pent-3-en-2-one
CID 7059687
N,N-dicyclohexyl-2-phenyl-2-phenylsulfanylacetamide
CID 4055742
2-methyl-N-[4-[(2-phenyl-2-phenylsulfanylacetyl)amino]phenyl]propanamide
CID 43000405

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-phenyl-2-phenylsulfanyl-N-propan-2-ylacetamide?
The IUPAC name of N-methyl-2-phenyl-2-phenylsulfanyl-N-propan-2-ylacetamide (CID 78844000) is N-methyl-2-phenyl-2-phenylsulfanyl-N-propan-2-ylacetamide.
What is the SMILES notation for N-methyl-2-phenyl-2-phenylsulfanyl-N-propan-2-ylacetamide?
The canonical SMILES for N-methyl-2-phenyl-2-phenylsulfanyl-N-propan-2-ylacetamide is CC(C)N(C)C(=O)C(Sc1ccccc1)c1ccccc1.
What is the InChIKey of N-methyl-2-phenyl-2-phenylsulfanyl-N-propan-2-ylacetamide?
The InChIKey is YQEMTZNRURAHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NOS/c1-14(2)19(3)18(20)17(15-10-6-4-7-11-15)21-16-12-8-5-9-13-16/h4-14,17H,1-3H3.
What are the key properties of N-methyl-2-phenyl-2-phenylsulfanyl-N-propan-2-ylacetamide?
N-methyl-2-phenyl-2-phenylsulfanyl-N-propan-2-ylacetamide has a molecular weight of 299.44 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-phenyl-2-phenylsulfanyl-N-propan-2-ylacetamide is sourced from PubChem (CID 78844000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).