3-acetamido-N-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)sulfanylbenzamide

C19H22FN3O2S — CID 5143383

IUPAC3-acetamido-N-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)sulfanylbenzamide
SMILESCC(=O)Nc1cc(C(=O)NCCN(C)C)ccc1Sc1ccc(F)cc1
InChIInChI=1S/C19H22FN3O2S/c1-13(24)22-17-12-14(19(25)21-10-11-23(2)3)4-9-18(17)26-16-7-5-15(20)6-8-16/h4-9,12H,10-11H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyOIRNTASZZIEXKS-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.23
Rot. Bonds7

About 3-acetamido-N-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)sulfanylbenzamide

3-acetamido-N-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)sulfanylbenzamide (PubChem CID 5143383) has the molecular formula C19H22FN3O2S and a molecular weight of 375.47 g/mol. Its IUPAC name is 3-acetamido-N-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)sulfanylbenzamide.

Molecular Properties

Compound Name3-acetamido-N-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)sulfanylbenzamide
PubChem CID5143383
Molecular FormulaC19H22FN3O2S
Molecular Weight375.47 g/mol
Exact Mass375.14
IUPAC Name3-acetamido-N-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)sulfanylbenzamide
SMILESCC(=O)Nc1cc(C(=O)NCCN(C)C)ccc1Sc1ccc(F)cc1
InChIInChI=1S/C19H22FN3O2S/c1-13(24)22-17-12-14(19(25)21-10-11-23(2)3)4-9-18(17)26-16-7-5-15(20)6-8-16/h4-9,12H,10-11H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyOIRNTASZZIEXKS-UHFFFAOYSA-N
XLogP3.23
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetamido-N-[3-(dipropylamino)propyl]-4-(4-fluorophenyl)sulfanylbenzamide
CID 20967928
3-acetamido-N-[(4-fluorophenyl)methyl]-4-(4-fluorophenyl)sulfanylbenzamide
CID 5143379
3-acetamido-N-[2-[bis(2-methylpropyl)amino]ethyl]-4-(4-chlorophenyl)sulfanylbenzamide
CID 20967933
3-acetamido-N-(3-methylbutyl)-4-(4-methylphenyl)sulfanylbenzamide
CID 4304352
3-acetamido-N-[(2-ethoxyphenyl)methyl]-4-(4-fluorophenyl)sulfanylbenzamide
CID 4291445
3-acetamido-4-(4-methylphenyl)sulfanyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide
CID 4052471
N-[2-[ethyl(hydroxymethyl)amino]ethyl]-4-(4-fluorophenyl)sulfanyl-3-nitrobenzamide
CID 139441213
N-[2-(4-fluorophenyl)sulfanylphenyl]acetamide
CID 58015270
N-[3-(dimethylamino)propyl]-4-fluorobenzamide
CID 2249894
N-[2-(dimethylamino)ethyl]-3-methylsulfanylbenzamide
CID 67490104
2-acetamido-N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)sulfanylpropanamide
CID 4282411
3-acetamido-4-(4-methylphenyl)sulfanyl-N-(oxolan-2-ylmethyl)benzamide
CID 4304118

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)sulfanylbenzamide?
The IUPAC name of 3-acetamido-N-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)sulfanylbenzamide (CID 5143383) is 3-acetamido-N-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)sulfanylbenzamide.
What is the SMILES notation for 3-acetamido-N-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)sulfanylbenzamide?
The canonical SMILES for 3-acetamido-N-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)sulfanylbenzamide is CC(=O)Nc1cc(C(=O)NCCN(C)C)ccc1Sc1ccc(F)cc1.
What is the InChIKey of 3-acetamido-N-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)sulfanylbenzamide?
The InChIKey is OIRNTASZZIEXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2S/c1-13(24)22-17-12-14(19(25)21-10-11-23(2)3)4-9-18(17)26-16-7-5-15(20)6-8-16/h4-9,12H,10-11H2,1-3H3,(H,21,25)(H,22,24).
What are the key properties of 3-acetamido-N-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)sulfanylbenzamide?
3-acetamido-N-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)sulfanylbenzamide has a molecular weight of 375.47 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)sulfanylbenzamide is sourced from PubChem (CID 5143383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).