N-cyclopropyl-4-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]benzamide

C18H16Cl2N2O2S — CID 55489180

IUPACN-cyclopropyl-4-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]benzamide
SMILESO=C(CSc1cc(Cl)ccc1Cl)Nc1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C18H16Cl2N2O2S/c19-12-3-8-15(20)16(9-12)25-10-17(23)21-13-4-1-11(2-5-13)18(24)22-14-6-7-14/h1-5,8-9,14H,6-7,10H2,(H,21,23)(H,22,24)
InChIKeyQSKKRVAIEBSIJJ-UHFFFAOYSA-N
MW395.31 g/mol
LogP4.62
Rot. Bonds6

About N-cyclopropyl-4-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]benzamide

N-cyclopropyl-4-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]benzamide (PubChem CID 55489180) has the molecular formula C18H16Cl2N2O2S and a molecular weight of 395.31 g/mol. Its IUPAC name is N-cyclopropyl-4-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]benzamide
PubChem CID55489180
Molecular FormulaC18H16Cl2N2O2S
Molecular Weight395.31 g/mol
Exact Mass394.03
IUPAC NameN-cyclopropyl-4-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]benzamide
SMILESO=C(CSc1cc(Cl)ccc1Cl)Nc1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C18H16Cl2N2O2S/c19-12-3-8-15(20)16(9-12)25-10-17(23)21-13-4-1-11(2-5-13)18(24)22-14-6-7-14/h1-5,8-9,14H,6-7,10H2,(H,21,23)(H,22,24)
InChIKeyQSKKRVAIEBSIJJ-UHFFFAOYSA-N
XLogP4.62
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.31
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-4-[(2,5-dichlorophenyl)sulfanylmethyl]benzamide
CID 8623361
N-cyclopropyl-4-[[2-(2-fluorophenyl)sulfanylacetyl]amino]benzamide
CID 46584778
4-[[2-[(4-chlorophenyl)-phenylmethyl]sulfanylacetyl]amino]-N-cyclopropylbenzamide
CID 55489531
N-cyclopropyl-4-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]benzamide
CID 39977118
3-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]cyclopentane-1-carboxylic acid
CID 66032727
2-(2,5-dichlorophenyl)sulfanyl-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 30857693
1-N-cyclopropyl-4-N-(2,4-dichlorophenyl)benzene-1,4-dicarboxamide
CID 109043435
2-cyano-N-cyclopropyl-4-(2,5-dichlorophenyl)sulfanyl-3-oxobutanamide
CID 91641622
4-[(4-chlorophenyl)sulfanylmethyl]-N-[4-(cyclopropylcarbamoyl)phenyl]benzamide
CID 46553938
4-[(2-chloroacetyl)amino]-N-cyclopentylbenzamide
CID 16640624
4-N-(4-chlorophenyl)-1-N-cyclopentylbenzene-1,4-dicarboxamide
CID 109044491
4-[(5-chloro-2-methylphenyl)carbamoylamino]-N-cyclopropylbenzamide
CID 17180530

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]benzamide?
The IUPAC name of N-cyclopropyl-4-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]benzamide (CID 55489180) is N-cyclopropyl-4-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-4-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]benzamide is O=C(CSc1cc(Cl)ccc1Cl)Nc1ccc(C(=O)NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-4-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]benzamide?
The InChIKey is QSKKRVAIEBSIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O2S/c19-12-3-8-15(20)16(9-12)25-10-17(23)21-13-4-1-11(2-5-13)18(24)22-14-6-7-14/h1-5,8-9,14H,6-7,10H2,(H,21,23)(H,22,24).
What are the key properties of N-cyclopropyl-4-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]benzamide?
N-cyclopropyl-4-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]benzamide has a molecular weight of 395.31 g/mol, XLogP of 4.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]benzamide is sourced from PubChem (CID 55489180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).