N-[2-(diethylamino)-2-phenylethyl]-2-methylsulfanylbenzamide

C20H26N2OS — CID 18167069

IUPACN-[2-(diethylamino)-2-phenylethyl]-2-methylsulfanylbenzamide
SMILESCCN(CC)C(CNC(=O)c1ccccc1SC)c1ccccc1
InChIInChI=1S/C20H26N2OS/c1-4-22(5-2)18(16-11-7-6-8-12-16)15-21-20(23)17-13-9-10-14-19(17)24-3/h6-14,18H,4-5,15H2,1-3H3,(H,21,23)
InChIKeyQOUCBDZCINGBBV-UHFFFAOYSA-N
MW342.51 g/mol
LogP4.22
Rot. Bonds8

About N-[2-(diethylamino)-2-phenylethyl]-2-methylsulfanylbenzamide

N-[2-(diethylamino)-2-phenylethyl]-2-methylsulfanylbenzamide (PubChem CID 18167069) has the molecular formula C20H26N2OS and a molecular weight of 342.51 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-phenylethyl]-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-phenylethyl]-2-methylsulfanylbenzamide
PubChem CID18167069
Molecular FormulaC20H26N2OS
Molecular Weight342.51 g/mol
Exact Mass342.18
IUPAC NameN-[2-(diethylamino)-2-phenylethyl]-2-methylsulfanylbenzamide
SMILESCCN(CC)C(CNC(=O)c1ccccc1SC)c1ccccc1
InChIInChI=1S/C20H26N2OS/c1-4-22(5-2)18(16-11-7-6-8-12-16)15-21-20(23)17-13-9-10-14-19(17)24-3/h6-14,18H,4-5,15H2,1-3H3,(H,21,23)
InChIKeyQOUCBDZCINGBBV-UHFFFAOYSA-N
XLogP4.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-phenylethyl)-2-methylsulfanylbenzamide
CID 79217268
N-[2-(diethylamino)-2-phenylethyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide
CID 112764996
N-[2-(diethylamino)-2-phenylethyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 46548406
N-[(2S)-2-(diethylamino)-2-phenylethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 25482491
N-[2-(4-chlorophenyl)-2-(diethylamino)ethyl]-2-fluorobenzamide
CID 112503768
4-bromo-N-[2-(diethylamino)-2-phenylethyl]-2-fluorobenzamide
CID 18167188
3-[2-(diethylamino)-2-phenylethyl]-1-ethyl-1-methylurea
CID 115603913
N-[2-(diethylamino)-2-phenylethyl]-4-(methylsulfanylmethyl)benzamide
CID 18167081
2-[[2-(diethylamino)-2-phenylethyl]amino]-2-oxoacetic acid
CID 43444924
N-(2-aminopropyl)-2-methylsulfanylbenzamide
CID 79218118
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylsulfanylbenzamide
CID 4878728
N-[(2R)-2-(ethylamino)propyl]-2-methylsulfanylbenzamide
CID 120650563

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-phenylethyl]-2-methylsulfanylbenzamide?
The IUPAC name of N-[2-(diethylamino)-2-phenylethyl]-2-methylsulfanylbenzamide (CID 18167069) is N-[2-(diethylamino)-2-phenylethyl]-2-methylsulfanylbenzamide.
What is the SMILES notation for N-[2-(diethylamino)-2-phenylethyl]-2-methylsulfanylbenzamide?
The canonical SMILES for N-[2-(diethylamino)-2-phenylethyl]-2-methylsulfanylbenzamide is CCN(CC)C(CNC(=O)c1ccccc1SC)c1ccccc1.
What is the InChIKey of N-[2-(diethylamino)-2-phenylethyl]-2-methylsulfanylbenzamide?
The InChIKey is QOUCBDZCINGBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2OS/c1-4-22(5-2)18(16-11-7-6-8-12-16)15-21-20(23)17-13-9-10-14-19(17)24-3/h6-14,18H,4-5,15H2,1-3H3,(H,21,23).
What are the key properties of N-[2-(diethylamino)-2-phenylethyl]-2-methylsulfanylbenzamide?
N-[2-(diethylamino)-2-phenylethyl]-2-methylsulfanylbenzamide has a molecular weight of 342.51 g/mol, XLogP of 4.22, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-phenylethyl]-2-methylsulfanylbenzamide is sourced from PubChem (CID 18167069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).