4-[[2-[(4-chlorophenyl)-phenylmethyl]sulfanylacetyl]amino]-N-cyclopropylbenzamide

C25H23ClN2O2S — CID 55489531

IUPAC4-[[2-[(4-chlorophenyl)-phenylmethyl]sulfanylacetyl]amino]-N-cyclopropylbenzamide
SMILESO=C(CSC(c1ccccc1)c1ccc(Cl)cc1)Nc1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C25H23ClN2O2S/c26-20-10-6-18(7-11-20)24(17-4-2-1-3-5-17)31-16-23(29)27-21-12-8-19(9-13-21)25(30)28-22-14-15-22/h1-13,22,24H,14-16H2,(H,27,29)(H,28,30)
InChIKeyVDZOAUIKEXJSRW-UHFFFAOYSA-N
MW450.99 g/mol
LogP5.69
Rot. Bonds8

About 4-[[2-[(4-chlorophenyl)-phenylmethyl]sulfanylacetyl]amino]-N-cyclopropylbenzamide

4-[[2-[(4-chlorophenyl)-phenylmethyl]sulfanylacetyl]amino]-N-cyclopropylbenzamide (PubChem CID 55489531) has the molecular formula C25H23ClN2O2S and a molecular weight of 450.99 g/mol. Its IUPAC name is 4-[[2-[(4-chlorophenyl)-phenylmethyl]sulfanylacetyl]amino]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name4-[[2-[(4-chlorophenyl)-phenylmethyl]sulfanylacetyl]amino]-N-cyclopropylbenzamide
PubChem CID55489531
Molecular FormulaC25H23ClN2O2S
Molecular Weight450.99 g/mol
Exact Mass450.12
IUPAC Name4-[[2-[(4-chlorophenyl)-phenylmethyl]sulfanylacetyl]amino]-N-cyclopropylbenzamide
SMILESO=C(CSC(c1ccccc1)c1ccc(Cl)cc1)Nc1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C25H23ClN2O2S/c26-20-10-6-18(7-11-20)24(17-4-2-1-3-5-17)31-16-23(29)27-21-12-8-19(9-13-21)25(30)28-22-14-15-22/h1-13,22,24H,14-16H2,(H,27,29)(H,28,30)
InChIKeyVDZOAUIKEXJSRW-UHFFFAOYSA-N
XLogP5.69
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.99
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-4-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]benzamide
CID 55489180
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(cyclopropylcarbamoyl)acetamide
CID 86932181
N-cyclopropyl-4-[[2-(2-fluorophenyl)sulfanylacetyl]amino]benzamide
CID 46584778
2-benzhydrylsulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide
CID 7961955
4-[(4-chlorophenyl)sulfanylmethyl]-N-[4-(cyclopropylcarbamoyl)phenyl]benzamide
CID 46553938
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(2,5-dimethylphenyl)acetamide
CID 47003851
4-N-(4-chlorophenyl)-1-N-cyclopentylbenzene-1,4-dicarboxamide
CID 109044491
4-[[2-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]methyl]-N-cyclopentylbenzamide
CID 46351211
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(2-methoxyethyl)acetamide
CID 51139553
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-ethylacetamide
CID 4799568
N-cyclopropyl-4-[[4-oxo-2-[2-oxo-2-(4-propan-2-ylanilino)ethyl]sulfanylquinazolin-3-yl]methyl]benzamide
CID 4122770
4-[(3-amino-3-phenylpropanoyl)amino]-N-cyclopentylbenzamide;hydrochloride
CID 119949582

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(4-chlorophenyl)-phenylmethyl]sulfanylacetyl]amino]-N-cyclopropylbenzamide?
The IUPAC name of 4-[[2-[(4-chlorophenyl)-phenylmethyl]sulfanylacetyl]amino]-N-cyclopropylbenzamide (CID 55489531) is 4-[[2-[(4-chlorophenyl)-phenylmethyl]sulfanylacetyl]amino]-N-cyclopropylbenzamide.
What is the SMILES notation for 4-[[2-[(4-chlorophenyl)-phenylmethyl]sulfanylacetyl]amino]-N-cyclopropylbenzamide?
The canonical SMILES for 4-[[2-[(4-chlorophenyl)-phenylmethyl]sulfanylacetyl]amino]-N-cyclopropylbenzamide is O=C(CSC(c1ccccc1)c1ccc(Cl)cc1)Nc1ccc(C(=O)NC2CC2)cc1.
What is the InChIKey of 4-[[2-[(4-chlorophenyl)-phenylmethyl]sulfanylacetyl]amino]-N-cyclopropylbenzamide?
The InChIKey is VDZOAUIKEXJSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN2O2S/c26-20-10-6-18(7-11-20)24(17-4-2-1-3-5-17)31-16-23(29)27-21-12-8-19(9-13-21)25(30)28-22-14-15-22/h1-13,22,24H,14-16H2,(H,27,29)(H,28,30).
What are the key properties of 4-[[2-[(4-chlorophenyl)-phenylmethyl]sulfanylacetyl]amino]-N-cyclopropylbenzamide?
4-[[2-[(4-chlorophenyl)-phenylmethyl]sulfanylacetyl]amino]-N-cyclopropylbenzamide has a molecular weight of 450.99 g/mol, XLogP of 5.69, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(4-chlorophenyl)-phenylmethyl]sulfanylacetyl]amino]-N-cyclopropylbenzamide is sourced from PubChem (CID 55489531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).