3-(N-[2-(2,5-dichlorophenyl)sulfanylacetyl]-4-methoxyanilino)propanamide

C18H18Cl2N2O3S — CID 24526878

IUPAC3-(N-[2-(2,5-dichlorophenyl)sulfanylacetyl]-4-methoxyanilino)propanamide
SMILESCOc1ccc(N(CCC(N)=O)C(=O)CSc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C18H18Cl2N2O3S/c1-25-14-5-3-13(4-6-14)22(9-8-17(21)23)18(24)11-26-16-10-12(19)2-7-15(16)20/h2-7,10H,8-9,11H2,1H3,(H2,21,23)
InChIKeyKCWSEVRDXPTSAK-UHFFFAOYSA-N
MW413.33 g/mol
LogP4.00
Rot. Bonds8

About 3-(N-[2-(2,5-dichlorophenyl)sulfanylacetyl]-4-methoxyanilino)propanamide

3-(N-[2-(2,5-dichlorophenyl)sulfanylacetyl]-4-methoxyanilino)propanamide (PubChem CID 24526878) has the molecular formula C18H18Cl2N2O3S and a molecular weight of 413.33 g/mol. Its IUPAC name is 3-(N-[2-(2,5-dichlorophenyl)sulfanylacetyl]-4-methoxyanilino)propanamide.

Molecular Properties

Compound Name3-(N-[2-(2,5-dichlorophenyl)sulfanylacetyl]-4-methoxyanilino)propanamide
PubChem CID24526878
Molecular FormulaC18H18Cl2N2O3S
Molecular Weight413.33 g/mol
Exact Mass412.04
IUPAC Name3-(N-[2-(2,5-dichlorophenyl)sulfanylacetyl]-4-methoxyanilino)propanamide
SMILESCOc1ccc(N(CCC(N)=O)C(=O)CSc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C18H18Cl2N2O3S/c1-25-14-5-3-13(4-6-14)22(9-8-17(21)23)18(24)11-26-16-10-12(19)2-7-15(16)20/h2-7,10H,8-9,11H2,1H3,(H2,21,23)
InChIKeyKCWSEVRDXPTSAK-UHFFFAOYSA-N
XLogP4.00
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.33
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(N-[2-(2,5-dichlorophenyl)sulfanylacetyl]-4-methoxyanilino)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(N-[2-(2-chlorophenyl)sulfanylacetyl]anilino)propanamide
CID 27312033
3-(N-[2-(1-benzyltetrazol-5-yl)sulfanylacetyl]-4-methoxyanilino)propanamide
CID 24574097
3-(N-[2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]acetyl]-4-methoxyanilino)propanamide
CID 24527676
3-[4-fluoro-N-[3-(4-methoxyphenyl)sulfanylpropanoyl]anilino]propanamide
CID 99164681
3-(4-fluoro-N-[2-(4-methoxyphenoxy)acetyl]anilino)propanamide
CID 17419390
3-(N-[2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-4-methoxyanilino)propanamide
CID 24528153
N-(1-aminopropan-2-yl)-2-(2,5-dichlorophenyl)sulfanyl-N-methylacetamide;hydrochloride
CID 119582804
3-[N-[(4-chlorophenyl)methyl]-4-methoxyanilino]propanamide
CID 24561175
3-(N-[2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanylacetyl]-4-methoxyanilino)propanamide
CID 24573541
2-(2,5-dichlorophenyl)sulfanyl-1-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]ethanone
CID 3312316
[2-[di(propan-2-yl)amino]-2-oxoethyl] 2-(2,5-dichlorophenyl)sulfanylacetate
CID 9167168
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-(2,5-dichlorophenyl)sulfanylacetate
CID 23966002

Frequently Asked Questions

What is the IUPAC name of 3-(N-[2-(2,5-dichlorophenyl)sulfanylacetyl]-4-methoxyanilino)propanamide?
The IUPAC name of 3-(N-[2-(2,5-dichlorophenyl)sulfanylacetyl]-4-methoxyanilino)propanamide (CID 24526878) is 3-(N-[2-(2,5-dichlorophenyl)sulfanylacetyl]-4-methoxyanilino)propanamide.
What is the SMILES notation for 3-(N-[2-(2,5-dichlorophenyl)sulfanylacetyl]-4-methoxyanilino)propanamide?
The canonical SMILES for 3-(N-[2-(2,5-dichlorophenyl)sulfanylacetyl]-4-methoxyanilino)propanamide is COc1ccc(N(CCC(N)=O)C(=O)CSc2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of 3-(N-[2-(2,5-dichlorophenyl)sulfanylacetyl]-4-methoxyanilino)propanamide?
The InChIKey is KCWSEVRDXPTSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O3S/c1-25-14-5-3-13(4-6-14)22(9-8-17(21)23)18(24)11-26-16-10-12(19)2-7-15(16)20/h2-7,10H,8-9,11H2,1H3,(H2,21,23).
What are the key properties of 3-(N-[2-(2,5-dichlorophenyl)sulfanylacetyl]-4-methoxyanilino)propanamide?
3-(N-[2-(2,5-dichlorophenyl)sulfanylacetyl]-4-methoxyanilino)propanamide has a molecular weight of 413.33 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-[2-(2,5-dichlorophenyl)sulfanylacetyl]-4-methoxyanilino)propanamide is sourced from PubChem (CID 24526878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).