N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-(4-chlorophenyl)sulfanylacetamide

C19H21ClN2O2S — CID 34714029

IUPACN-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-(4-chlorophenyl)sulfanylacetamide
SMILESCCN(Cc1ccccc1NC(=O)CSc1ccc(Cl)cc1)C(C)=O
InChIInChI=1S/C19H21ClN2O2S/c1-3-22(14(2)23)12-15-6-4-5-7-18(15)21-19(24)13-25-17-10-8-16(20)9-11-17/h4-11H,3,12-13H2,1-2H3,(H,21,24)
InChIKeyXYUIBEPYELYHDI-UHFFFAOYSA-N
MW376.91 g/mol
LogP4.44
Rot. Bonds7

About N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-(4-chlorophenyl)sulfanylacetamide

N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-(4-chlorophenyl)sulfanylacetamide (PubChem CID 34714029) has the molecular formula C19H21ClN2O2S and a molecular weight of 376.91 g/mol. Its IUPAC name is N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-(4-chlorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-(4-chlorophenyl)sulfanylacetamide
PubChem CID34714029
Molecular FormulaC19H21ClN2O2S
Molecular Weight376.91 g/mol
Exact Mass376.10
IUPAC NameN-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-(4-chlorophenyl)sulfanylacetamide
SMILESCCN(Cc1ccccc1NC(=O)CSc1ccc(Cl)cc1)C(C)=O
InChIInChI=1S/C19H21ClN2O2S/c1-3-22(14(2)23)12-15-6-4-5-7-18(15)21-19(24)13-25-17-10-8-16(20)9-11-17/h4-11H,3,12-13H2,1-2H3,(H,21,24)
InChIKeyXYUIBEPYELYHDI-UHFFFAOYSA-N
XLogP4.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.91
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-4-aminobutanamide
CID 119294565
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-3-phenylbutanamide
CID 86981703
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 34715637
2-(4-chlorophenyl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide
CID 802169
N-[2-[(2S)-butan-2-yl]phenyl]-2-(4-chlorophenyl)sulfanylacetamide
CID 889834
2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(2-ethylphenyl)acetamide
CID 113162771
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-4-(5-chlorothiophen-2-yl)-4-oxobutanamide
CID 55661305
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-(5-methylthiophen-2-yl)acetamide
CID 86839848
2-(4-chlorophenyl)sulfanyl-N-(3-fluoro-2-methylphenyl)acetamide
CID 126186398
2-[[2-[[acetyl(ethyl)amino]methyl]phenyl]carbamoylamino]-N-(2-methylpropyl)acetamide
CID 49278693
N-[2-(ethylaminomethyl)phenyl]-2-(4-methylphenyl)sulfanylacetamide
CID 119438694
2-[2-[[acetyl(ethyl)amino]methyl]anilino]-N-carbamoylacetamide
CID 86983777

Frequently Asked Questions

What is the IUPAC name of N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-(4-chlorophenyl)sulfanylacetamide?
The IUPAC name of N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-(4-chlorophenyl)sulfanylacetamide (CID 34714029) is N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-(4-chlorophenyl)sulfanylacetamide.
What is the SMILES notation for N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-(4-chlorophenyl)sulfanylacetamide?
The canonical SMILES for N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-(4-chlorophenyl)sulfanylacetamide is CCN(Cc1ccccc1NC(=O)CSc1ccc(Cl)cc1)C(C)=O.
What is the InChIKey of N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-(4-chlorophenyl)sulfanylacetamide?
The InChIKey is XYUIBEPYELYHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2S/c1-3-22(14(2)23)12-15-6-4-5-7-18(15)21-19(24)13-25-17-10-8-16(20)9-11-17/h4-11H,3,12-13H2,1-2H3,(H,21,24).
What are the key properties of N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-(4-chlorophenyl)sulfanylacetamide?
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-(4-chlorophenyl)sulfanylacetamide has a molecular weight of 376.91 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-(4-chlorophenyl)sulfanylacetamide is sourced from PubChem (CID 34714029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).