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

C18H19ClN2O3S — CID 86981464

IUPAC2-chloro-N-[2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]ethyl]benzamide
SMILESCOc1ccc(SCC(=O)NCCNC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C18H19ClN2O3S/c1-24-13-6-8-14(9-7-13)25-12-17(22)20-10-11-21-18(23)15-4-2-3-5-16(15)19/h2-9H,10-12H2,1H3,(H,20,22)(H,21,23)
InChIKeyJQEBYAMEYQKHOW-UHFFFAOYSA-N
MW378.88 g/mol
LogP2.99
Rot. Bonds8

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

2-chloro-N-[2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]ethyl]benzamide (PubChem CID 86981464) has the molecular formula C18H19ClN2O3S and a molecular weight of 378.88 g/mol. Its IUPAC name is 2-chloro-N-[2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]ethyl]benzamide
PubChem CID86981464
Molecular FormulaC18H19ClN2O3S
Molecular Weight378.88 g/mol
Exact Mass378.08
IUPAC Name2-chloro-N-[2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]ethyl]benzamide
SMILESCOc1ccc(SCC(=O)NCCNC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C18H19ClN2O3S/c1-24-13-6-8-14(9-7-13)25-12-17(22)20-10-11-21-18(23)15-4-2-3-5-16(15)19/h2-9H,10-12H2,1H3,(H,20,22)(H,21,23)
InChIKeyJQEBYAMEYQKHOW-UHFFFAOYSA-N
XLogP2.99
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.88
LogP ≤ 52.99
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

N-butyl-2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]benzamide
CID 28578361
2-chloro-N-[2-[[2-(2,5-dimethoxyphenyl)acetyl]amino]ethyl]benzamide
CID 78868092
2-chloro-N-[3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropyl]benzamide
CID 8935033
2-(4-methoxyphenyl)sulfanyl-N-[2-[(S)-phenylsulfinyl]ethyl]acetamide
CID 97000289
2-chloro-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide
CID 47029147
N-benzyl-2-(4-methoxyphenyl)sulfanylacetamide
CID 41320624
N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-methoxybenzamide
CID 40718510
N-(5-hydroxypentyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 107318867
2-chloro-N-[2-[(2-chloroacetyl)amino]ethyl]benzamide
CID 108571462
5-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]pentanoic acid
CID 62032850
2-chloro-N-[2-[(3-methoxybenzoyl)amino]ethyl]benzamide
CID 7354272
2-chloro-N-[2-[[N-[2-(4-methoxyphenoxy)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]benzamide
CID 111409987

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]ethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]ethyl]benzamide (CID 86981464) is 2-chloro-N-[2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]ethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]ethyl]benzamide is COc1ccc(SCC(=O)NCCNC(=O)c2ccccc2Cl)cc1.
What is the InChIKey of 2-chloro-N-[2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]ethyl]benzamide?
The InChIKey is JQEBYAMEYQKHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3S/c1-24-13-6-8-14(9-7-13)25-12-17(22)20-10-11-21-18(23)15-4-2-3-5-16(15)19/h2-9H,10-12H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 2-chloro-N-[2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]ethyl]benzamide?
2-chloro-N-[2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]ethyl]benzamide has a molecular weight of 378.88 g/mol, XLogP of 2.99, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]ethyl]benzamide is sourced from PubChem (CID 86981464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).