N,N-dipropyl-2-(trifluoromethylsulfanyl)benzamide

C14H18F3NOS — CID 78860224

IUPACN,N-dipropyl-2-(trifluoromethylsulfanyl)benzamide
SMILESCCCN(CCC)C(=O)c1ccccc1SC(F)(F)F
InChIInChI=1S/C14H18F3NOS/c1-3-9-18(10-4-2)13(19)11-7-5-6-8-12(11)20-14(15,16)17/h5-8H,3-4,9-10H2,1-2H3
InChIKeyIARQDDNVSKDYDM-UHFFFAOYSA-N
MW305.36 g/mol
LogP4.56
Rot. Bonds6

About N,N-dipropyl-2-(trifluoromethylsulfanyl)benzamide

N,N-dipropyl-2-(trifluoromethylsulfanyl)benzamide (PubChem CID 78860224) has the molecular formula C14H18F3NOS and a molecular weight of 305.36 g/mol. Its IUPAC name is N,N-dipropyl-2-(trifluoromethylsulfanyl)benzamide.

Molecular Properties

Compound NameN,N-dipropyl-2-(trifluoromethylsulfanyl)benzamide
PubChem CID78860224
Molecular FormulaC14H18F3NOS
Molecular Weight305.36 g/mol
Exact Mass305.11
IUPAC NameN,N-dipropyl-2-(trifluoromethylsulfanyl)benzamide
SMILESCCCN(CCC)C(=O)c1ccccc1SC(F)(F)F
InChIInChI=1S/C14H18F3NOS/c1-3-9-18(10-4-2)13(19)11-7-5-6-8-12(11)20-14(15,16)17/h5-8H,3-4,9-10H2,1-2H3
InChIKeyIARQDDNVSKDYDM-UHFFFAOYSA-N
XLogP4.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethyl-2-(trifluoromethylsulfanyl)benzamide
CID 60753360
2-[prop-2-enyl-[2-(trifluoromethylsulfanyl)benzoyl]amino]acetic acid
CID 79263048
N-(2-hydroxypropyl)-2-(trifluoromethylsulfanyl)benzamide
CID 43427741
2-amino-N,N-dipropylbenzamide
CID 16769117
2-amino-1-[2-(trifluoromethylsulfanyl)phenyl]ethanone
CID 170860575
2-amino-N,N-dipropylbenzamide;hydrochloride
CID 119943594
N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 78865711
N-(2-chloroethyl)-2-methyl-N-propylbenzamide
CID 63392900
N-(2-aminoethyl)-2-hydroxy-N-propylbenzamide
CID 61348969
2-(dipropylcarbamoyl)benzeneseleninic acid
CID 101473440
N-(2-bromoethyl)-N-butyl-2-methylsulfanylbenzamide
CID 80659580
N-(3-amino-2-hydroxy-3-oxopropyl)-2-(trifluoromethylsulfanyl)benzamide
CID 106165344

Frequently Asked Questions

What is the IUPAC name of N,N-dipropyl-2-(trifluoromethylsulfanyl)benzamide?
The IUPAC name of N,N-dipropyl-2-(trifluoromethylsulfanyl)benzamide (CID 78860224) is N,N-dipropyl-2-(trifluoromethylsulfanyl)benzamide.
What is the SMILES notation for N,N-dipropyl-2-(trifluoromethylsulfanyl)benzamide?
The canonical SMILES for N,N-dipropyl-2-(trifluoromethylsulfanyl)benzamide is CCCN(CCC)C(=O)c1ccccc1SC(F)(F)F.
What is the InChIKey of N,N-dipropyl-2-(trifluoromethylsulfanyl)benzamide?
The InChIKey is IARQDDNVSKDYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NOS/c1-3-9-18(10-4-2)13(19)11-7-5-6-8-12(11)20-14(15,16)17/h5-8H,3-4,9-10H2,1-2H3.
What are the key properties of N,N-dipropyl-2-(trifluoromethylsulfanyl)benzamide?
N,N-dipropyl-2-(trifluoromethylsulfanyl)benzamide has a molecular weight of 305.36 g/mol, XLogP of 4.56, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dipropyl-2-(trifluoromethylsulfanyl)benzamide is sourced from PubChem (CID 78860224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).