N-[4-[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3-methylbenzamide

C23H20Cl2N2O2S — CID 23095314

IUPACN-[4-[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(SC(C)C(=O)Nc3cc(Cl)ccc3Cl)cc2)c1
InChIInChI=1S/C23H20Cl2N2O2S/c1-14-4-3-5-16(12-14)23(29)26-18-7-9-19(10-8-18)30-15(2)22(28)27-21-13-17(24)6-11-20(21)25/h3-13,15H,1-2H3,(H,26,29)(H,27,28)
InChIKeyRCAPJNXSAQUJIJ-UHFFFAOYSA-N
MW459.40 g/mol
LogP6.67
Rot. Bonds6

About N-[4-[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3-methylbenzamide

N-[4-[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3-methylbenzamide (PubChem CID 23095314) has the molecular formula C23H20Cl2N2O2S and a molecular weight of 459.40 g/mol. Its IUPAC name is N-[4-[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[4-[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3-methylbenzamide
PubChem CID23095314
Molecular FormulaC23H20Cl2N2O2S
Molecular Weight459.40 g/mol
Exact Mass458.06
IUPAC NameN-[4-[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(SC(C)C(=O)Nc3cc(Cl)ccc3Cl)cc2)c1
InChIInChI=1S/C23H20Cl2N2O2S/c1-14-4-3-5-16(12-14)23(29)26-18-7-9-19(10-8-18)30-15(2)22(28)27-21-13-17(24)6-11-20(21)25/h3-13,15H,1-2H3,(H,26,29)(H,27,28)
InChIKeyRCAPJNXSAQUJIJ-UHFFFAOYSA-N
XLogP6.67
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.40
LogP ≤ 56.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3-methylbenzamide 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-chloro-N-[4-[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]benzamide
CID 23097832
N-[4-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3-methylbenzamide
CID 22780974
N-[4-[1-(3,4-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3-methylbenzamide
CID 23095316
N-[4-[1-(4-fluoroanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3-methylbenzamide
CID 22775346
(2R)-N-(2,5-dichlorophenyl)-2-phenylsulfanylpropanamide
CID 2501549
3-[2-[4-[(3-chlorobenzoyl)amino]phenyl]sulfanylpropanoylamino]-4-methylbenzoic acid
CID 23096456
4-[[4-[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]carbamoyl]benzene-1,3-dicarboxylic acid
CID 22785836
N-[4-[1-[(9,10-dioxoanthracen-1-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]-3-methylbenzamide
CID 21167466
N-[3-[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide
CID 18908145
N-[3-[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]-4-fluorobenzamide
CID 18904113
3-methyl-N-[3-[1-(4-methylanilino)-1-oxopropan-2-yl]sulfanylphenyl]benzamide
CID 18906716
3-chloro-N-[4-[1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]sulfanylphenyl]benzamide
CID 22782877

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3-methylbenzamide?
The IUPAC name of N-[4-[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3-methylbenzamide (CID 23095314) is N-[4-[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3-methylbenzamide.
What is the SMILES notation for N-[4-[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3-methylbenzamide?
The canonical SMILES for N-[4-[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3-methylbenzamide is Cc1cccc(C(=O)Nc2ccc(SC(C)C(=O)Nc3cc(Cl)ccc3Cl)cc2)c1.
What is the InChIKey of N-[4-[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3-methylbenzamide?
The InChIKey is RCAPJNXSAQUJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N2O2S/c1-14-4-3-5-16(12-14)23(29)26-18-7-9-19(10-8-18)30-15(2)22(28)27-21-13-17(24)6-11-20(21)25/h3-13,15H,1-2H3,(H,26,29)(H,27,28).
What are the key properties of N-[4-[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3-methylbenzamide?
N-[4-[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3-methylbenzamide has a molecular weight of 459.40 g/mol, XLogP of 6.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3-methylbenzamide is sourced from PubChem (CID 23095314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).