2-(4-tert-butylphenyl)sulfanyl-N-(3,5-dichlorophenyl)acetamide

C18H19Cl2NOS — CID 3453386

IUPAC2-(4-tert-butylphenyl)sulfanyl-N-(3,5-dichlorophenyl)acetamide
SMILESCC(C)(C)c1ccc(SCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C18H19Cl2NOS/c1-18(2,3)12-4-6-16(7-5-12)23-11-17(22)21-15-9-13(19)8-14(20)10-15/h4-10H,11H2,1-3H3,(H,21,22)
InChIKeyORPHVPMGIBFTEL-UHFFFAOYSA-N
MW368.33 g/mol
LogP6.02
Rot. Bonds4

About 2-(4-tert-butylphenyl)sulfanyl-N-(3,5-dichlorophenyl)acetamide

2-(4-tert-butylphenyl)sulfanyl-N-(3,5-dichlorophenyl)acetamide (PubChem CID 3453386) has the molecular formula C18H19Cl2NOS and a molecular weight of 368.33 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)sulfanyl-N-(3,5-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)sulfanyl-N-(3,5-dichlorophenyl)acetamide
PubChem CID3453386
Molecular FormulaC18H19Cl2NOS
Molecular Weight368.33 g/mol
Exact Mass367.06
IUPAC Name2-(4-tert-butylphenyl)sulfanyl-N-(3,5-dichlorophenyl)acetamide
SMILESCC(C)(C)c1ccc(SCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C18H19Cl2NOS/c1-18(2,3)12-4-6-16(7-5-12)23-11-17(22)21-15-9-13(19)8-14(20)10-15/h4-10H,11H2,1-3H3,(H,21,22)
InChIKeyORPHVPMGIBFTEL-UHFFFAOYSA-N
XLogP6.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.33
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-tert-butylphenyl)sulfanyl-N-(3,5-dichlorophenyl)acetamide 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

2-(4-bromophenyl)sulfanyl-N-(3,5-dichlorophenyl)acetamide
CID 2227981
2-(4-acetamidophenyl)sulfanyl-N-(4-tert-butylphenyl)acetamide
CID 40604506
2-(4-tert-butylphenyl)sulfanyl-N-(2,4-dichlorophenyl)acetamide
CID 5197742
2-(4-tert-butylphenyl)sulfanyl-N-(4-ethylphenyl)acetamide
CID 3309206
N-(3-acetylphenyl)-2-(4-tert-butylphenyl)sulfanylacetamide
CID 2969914
2-(4-chlorophenyl)sulfanyl-N-(3,5-dimethylphenyl)acetamide
CID 3936827
(E)-4-[4-[2-(3,5-dichloroanilino)-2-oxoethyl]sulfanylanilino]-4-oxobut-2-enoic acid
CID 22786118
N-[4-[2-(4-chloroanilino)-2-oxoethyl]sulfanylphenyl]-3,3-dimethylbutanamide
CID 19630200
N-[4-[[2-(4-tert-butylphenyl)sulfanylacetyl]amino]phenyl]cyclopropanecarboxamide
CID 26059347
4-[[2-(4-tert-butylphenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide
CID 7847490
2-(4-chlorophenyl)sulfanyl-N-(3,5-dichloro-4-hydroxyphenyl)acetamide
CID 1026425
N-[4-[2-(2,5-dichloroanilino)-2-oxoethyl]sulfanylphenyl]-3,3-dimethylbutanamide
CID 22778284

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)sulfanyl-N-(3,5-dichlorophenyl)acetamide?
The IUPAC name of 2-(4-tert-butylphenyl)sulfanyl-N-(3,5-dichlorophenyl)acetamide (CID 3453386) is 2-(4-tert-butylphenyl)sulfanyl-N-(3,5-dichlorophenyl)acetamide.
What is the SMILES notation for 2-(4-tert-butylphenyl)sulfanyl-N-(3,5-dichlorophenyl)acetamide?
The canonical SMILES for 2-(4-tert-butylphenyl)sulfanyl-N-(3,5-dichlorophenyl)acetamide is CC(C)(C)c1ccc(SCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)sulfanyl-N-(3,5-dichlorophenyl)acetamide?
The InChIKey is ORPHVPMGIBFTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2NOS/c1-18(2,3)12-4-6-16(7-5-12)23-11-17(22)21-15-9-13(19)8-14(20)10-15/h4-10H,11H2,1-3H3,(H,21,22).
What are the key properties of 2-(4-tert-butylphenyl)sulfanyl-N-(3,5-dichlorophenyl)acetamide?
2-(4-tert-butylphenyl)sulfanyl-N-(3,5-dichlorophenyl)acetamide has a molecular weight of 368.33 g/mol, XLogP of 6.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)sulfanyl-N-(3,5-dichlorophenyl)acetamide is sourced from PubChem (CID 3453386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).