N,N-diethyl-4-[[2-(2-fluorophenyl)sulfanylacetyl]amino]benzamide

C19H21FN2O2S — CID 7965030

IUPACN,N-diethyl-4-[[2-(2-fluorophenyl)sulfanylacetyl]amino]benzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)CSc2ccccc2F)cc1
InChIInChI=1S/C19H21FN2O2S/c1-3-22(4-2)19(24)14-9-11-15(12-10-14)21-18(23)13-25-17-8-6-5-7-16(17)20/h5-12H,3-4,13H2,1-2H3,(H,21,23)
InChIKeyLFIQQUDDSSQPNP-UHFFFAOYSA-N
MW360.45 g/mol
LogP4.04
Rot. Bonds7

About N,N-diethyl-4-[[2-(2-fluorophenyl)sulfanylacetyl]amino]benzamide

N,N-diethyl-4-[[2-(2-fluorophenyl)sulfanylacetyl]amino]benzamide (PubChem CID 7965030) has the molecular formula C19H21FN2O2S and a molecular weight of 360.45 g/mol. Its IUPAC name is N,N-diethyl-4-[[2-(2-fluorophenyl)sulfanylacetyl]amino]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[[2-(2-fluorophenyl)sulfanylacetyl]amino]benzamide
PubChem CID7965030
Molecular FormulaC19H21FN2O2S
Molecular Weight360.45 g/mol
Exact Mass360.13
IUPAC NameN,N-diethyl-4-[[2-(2-fluorophenyl)sulfanylacetyl]amino]benzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)CSc2ccccc2F)cc1
InChIInChI=1S/C19H21FN2O2S/c1-3-22(4-2)19(24)14-9-11-15(12-10-14)21-18(23)13-25-17-8-6-5-7-16(17)20/h5-12H,3-4,13H2,1-2H3,(H,21,23)
InChIKeyLFIQQUDDSSQPNP-UHFFFAOYSA-N
XLogP4.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-(2-fluorophenyl)sulfanylacetyl]phenyl]propanamide
CID 7964698
N-(4-bromophenyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 2591716
N-(4-ethoxyphenyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 2591885
N-cyclopropyl-4-[[2-(2-fluorophenyl)sulfanylacetyl]amino]benzamide
CID 46584778
N,N-diethyl-4-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]benzamide
CID 7762487
N,N-diethyl-4-[(2-imidazo[1,5-a]pyridin-3-ylsulfanylacetyl)amino]benzamide
CID 31662428
N,N-diethyl-2-(2-fluorophenyl)sulfanylacetamide
CID 60623990
4-[[2-(2-fluorophenyl)sulfanylacetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 4793619
N,N-diethyl-4-[[2-(2-phenylsulfanylanilino)acetyl]amino]benzamide
CID 42068550
2-(2-fluorophenyl)sulfanyl-N-(4-nitrophenyl)acetamide
CID 7965036
N-[4-(difluoromethoxy)phenyl]-2-(2-fluorophenyl)sulfanylacetamide
CID 2591517
N,N-diethyl-4-[[2-(ethylamino)acetyl]amino]benzamide
CID 54820671

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[[2-(2-fluorophenyl)sulfanylacetyl]amino]benzamide?
The IUPAC name of N,N-diethyl-4-[[2-(2-fluorophenyl)sulfanylacetyl]amino]benzamide (CID 7965030) is N,N-diethyl-4-[[2-(2-fluorophenyl)sulfanylacetyl]amino]benzamide.
What is the SMILES notation for N,N-diethyl-4-[[2-(2-fluorophenyl)sulfanylacetyl]amino]benzamide?
The canonical SMILES for N,N-diethyl-4-[[2-(2-fluorophenyl)sulfanylacetyl]amino]benzamide is CCN(CC)C(=O)c1ccc(NC(=O)CSc2ccccc2F)cc1.
What is the InChIKey of N,N-diethyl-4-[[2-(2-fluorophenyl)sulfanylacetyl]amino]benzamide?
The InChIKey is LFIQQUDDSSQPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2S/c1-3-22(4-2)19(24)14-9-11-15(12-10-14)21-18(23)13-25-17-8-6-5-7-16(17)20/h5-12H,3-4,13H2,1-2H3,(H,21,23).
What are the key properties of N,N-diethyl-4-[[2-(2-fluorophenyl)sulfanylacetyl]amino]benzamide?
N,N-diethyl-4-[[2-(2-fluorophenyl)sulfanylacetyl]amino]benzamide has a molecular weight of 360.45 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[[2-(2-fluorophenyl)sulfanylacetyl]amino]benzamide is sourced from PubChem (CID 7965030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).