4-chloro-N-[2-[[2-(4-ethoxyphenyl)sulfanylacetyl]amino]ethyl]benzamide

C19H21ClN2O3S — CID 34998826

IUPAC4-chloro-N-[2-[[2-(4-ethoxyphenyl)sulfanylacetyl]amino]ethyl]benzamide
SMILESCCOc1ccc(SCC(=O)NCCNC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H21ClN2O3S/c1-2-25-16-7-9-17(10-8-16)26-13-18(23)21-11-12-22-19(24)14-3-5-15(20)6-4-14/h3-10H,2,11-13H2,1H3,(H,21,23)(H,22,24)
InChIKeyTYUUTESCSAMTOG-UHFFFAOYSA-N
MW392.91 g/mol
LogP3.38
Rot. Bonds9

About 4-chloro-N-[2-[[2-(4-ethoxyphenyl)sulfanylacetyl]amino]ethyl]benzamide

4-chloro-N-[2-[[2-(4-ethoxyphenyl)sulfanylacetyl]amino]ethyl]benzamide (PubChem CID 34998826) has the molecular formula C19H21ClN2O3S and a molecular weight of 392.91 g/mol. Its IUPAC name is 4-chloro-N-[2-[[2-(4-ethoxyphenyl)sulfanylacetyl]amino]ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-[[2-(4-ethoxyphenyl)sulfanylacetyl]amino]ethyl]benzamide
PubChem CID34998826
Molecular FormulaC19H21ClN2O3S
Molecular Weight392.91 g/mol
Exact Mass392.10
IUPAC Name4-chloro-N-[2-[[2-(4-ethoxyphenyl)sulfanylacetyl]amino]ethyl]benzamide
SMILESCCOc1ccc(SCC(=O)NCCNC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H21ClN2O3S/c1-2-25-16-7-9-17(10-8-16)26-13-18(23)21-11-12-22-19(24)14-3-5-15(20)6-4-14/h3-10H,2,11-13H2,1H3,(H,21,23)(H,22,24)
InChIKeyTYUUTESCSAMTOG-UHFFFAOYSA-N
XLogP3.38
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-ethoxyphenyl)sulfanyl-N-ethylacetamide
CID 60651157
4-chloro-N-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]benzamide
CID 9022553
2-(3-chloro-4-fluorophenyl)sulfanyl-N-[2-(4-ethoxyphenoxy)ethyl]acetamide
CID 18227991
4-chloro-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]benzamide
CID 31829485
2-(4-chlorophenyl)-N-[4-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylphenyl]acetamide
CID 22783162
4-ethoxy-N-(2-phenylsulfanylethyl)benzamide
CID 27887685
(2S)-4-[[2-(4-ethoxyphenyl)sulfanylacetyl]amino]-2-hydroxybutanoic acid
CID 107834893
2-(4-chlorophenyl)sulfanyl-N-(3-methoxypropyl)acetamide
CID 2273690
4-[(4-chlorophenyl)sulfanylmethyl]-N-(4-ethoxyphenyl)benzamide
CID 3097680
4-chloro-N'-[2-(4-methoxyphenyl)sulfanylacetyl]benzohydrazide
CID 26649394
3-[[2-(4-ethoxyphenyl)sulfanylacetyl]amino]-2-methylpropanoic acid
CID 62674964
2-(4-ethoxyphenyl)sulfanyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64530215

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[[2-(4-ethoxyphenyl)sulfanylacetyl]amino]ethyl]benzamide?
The IUPAC name of 4-chloro-N-[2-[[2-(4-ethoxyphenyl)sulfanylacetyl]amino]ethyl]benzamide (CID 34998826) is 4-chloro-N-[2-[[2-(4-ethoxyphenyl)sulfanylacetyl]amino]ethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-[[2-(4-ethoxyphenyl)sulfanylacetyl]amino]ethyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-[[2-(4-ethoxyphenyl)sulfanylacetyl]amino]ethyl]benzamide is CCOc1ccc(SCC(=O)NCCNC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-chloro-N-[2-[[2-(4-ethoxyphenyl)sulfanylacetyl]amino]ethyl]benzamide?
The InChIKey is TYUUTESCSAMTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3S/c1-2-25-16-7-9-17(10-8-16)26-13-18(23)21-11-12-22-19(24)14-3-5-15(20)6-4-14/h3-10H,2,11-13H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 4-chloro-N-[2-[[2-(4-ethoxyphenyl)sulfanylacetyl]amino]ethyl]benzamide?
4-chloro-N-[2-[[2-(4-ethoxyphenyl)sulfanylacetyl]amino]ethyl]benzamide has a molecular weight of 392.91 g/mol, XLogP of 3.38, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[[2-(4-ethoxyphenyl)sulfanylacetyl]amino]ethyl]benzamide is sourced from PubChem (CID 34998826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).