3-(4-chlorophenyl)sulfanyl-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]propanamide

C18H19ClN2O3S — CID 34271984

IUPAC3-(4-chlorophenyl)sulfanyl-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]propanamide
SMILESCNC(=O)COc1cccc(NC(=O)CCSc2ccc(Cl)cc2)c1
InChIInChI=1S/C18H19ClN2O3S/c1-20-18(23)12-24-15-4-2-3-14(11-15)21-17(22)9-10-25-16-7-5-13(19)6-8-16/h2-8,11H,9-10,12H2,1H3,(H,20,23)(H,21,22)
InChIKeyXTDNOYOENBBJED-UHFFFAOYSA-N
MW378.88 g/mol
LogP3.59
Rot. Bonds8

About 3-(4-chlorophenyl)sulfanyl-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]propanamide

3-(4-chlorophenyl)sulfanyl-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]propanamide (PubChem CID 34271984) has the molecular formula C18H19ClN2O3S and a molecular weight of 378.88 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfanyl-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfanyl-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]propanamide
PubChem CID34271984
Molecular FormulaC18H19ClN2O3S
Molecular Weight378.88 g/mol
Exact Mass378.08
IUPAC Name3-(4-chlorophenyl)sulfanyl-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]propanamide
SMILESCNC(=O)COc1cccc(NC(=O)CCSc2ccc(Cl)cc2)c1
InChIInChI=1S/C18H19ClN2O3S/c1-20-18(23)12-24-15-4-2-3-14(11-15)21-17(22)9-10-25-16-7-5-13(19)6-8-16/h2-8,11H,9-10,12H2,1H3,(H,20,23)(H,21,22)
InChIKeyXTDNOYOENBBJED-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]acetamide
CID 43705402
[2-(3-methoxyanilino)-2-oxoethyl] 4-(4-chlorophenyl)sulfanylbutanoate
CID 7191781
[2-(3-acetamidoanilino)-2-oxoethyl] 3-(4-chlorophenyl)sulfanylpropanoate
CID 7840800
3-(4-chlorophenyl)sulfanyl-N-(4-methoxyphenyl)propanamide
CID 846817
2-methyl-N-[3-[3-[2-(methylamino)-2-oxoethoxy]anilino]-3-oxopropyl]cyclopropane-1-carboxamide
CID 46440401
N-[4-[2-(3-chloroanilino)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide
CID 22778580
N-(4-chlorophenyl)-2-(3-ethoxyphenoxy)acetamide
CID 112977797
N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]pyridine-4-carboxamide
CID 34273229
2-(butan-2-ylamino)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]acetamide
CID 60852115
2-(3-chloro-4-fluorophenoxy)-N-(3-methoxyphenyl)acetamide
CID 7751222
2-(3-methoxyphenoxy)-N-(3-methoxyphenyl)acetamide
CID 19204025
N-(3-butoxyphenyl)-2-(4-chlorophenyl)acetamide
CID 17095062

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]propanamide?
The IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]propanamide (CID 34271984) is 3-(4-chlorophenyl)sulfanyl-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfanyl-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]propanamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfanyl-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]propanamide is CNC(=O)COc1cccc(NC(=O)CCSc2ccc(Cl)cc2)c1.
What is the InChIKey of 3-(4-chlorophenyl)sulfanyl-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]propanamide?
The InChIKey is XTDNOYOENBBJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3S/c1-20-18(23)12-24-15-4-2-3-14(11-15)21-17(22)9-10-25-16-7-5-13(19)6-8-16/h2-8,11H,9-10,12H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 3-(4-chlorophenyl)sulfanyl-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]propanamide?
3-(4-chlorophenyl)sulfanyl-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]propanamide has a molecular weight of 378.88 g/mol, XLogP of 3.59, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfanyl-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]propanamide is sourced from PubChem (CID 34271984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).