2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(cyclopropylcarbamoyl)acetamide

C19H19ClN2O2S — CID 86932181

IUPAC2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(cyclopropylcarbamoyl)acetamide
SMILESO=C(CSC(c1ccccc1)c1ccc(Cl)cc1)NC(=O)NC1CC1
InChIInChI=1S/C19H19ClN2O2S/c20-15-8-6-14(7-9-15)18(13-4-2-1-3-5-13)25-12-17(23)22-19(24)21-16-10-11-16/h1-9,16,18H,10-12H2,(H2,21,22,23,24)
InChIKeyZXWSKHJOLIKVMS-UHFFFAOYSA-N
MW374.89 g/mol
LogP4.15
Rot. Bonds6

About 2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(cyclopropylcarbamoyl)acetamide

2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(cyclopropylcarbamoyl)acetamide (PubChem CID 86932181) has the molecular formula C19H19ClN2O2S and a molecular weight of 374.89 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(cyclopropylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(cyclopropylcarbamoyl)acetamide
PubChem CID86932181
Molecular FormulaC19H19ClN2O2S
Molecular Weight374.89 g/mol
Exact Mass374.09
IUPAC Name2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(cyclopropylcarbamoyl)acetamide
SMILESO=C(CSC(c1ccccc1)c1ccc(Cl)cc1)NC(=O)NC1CC1
InChIInChI=1S/C19H19ClN2O2S/c20-15-8-6-14(7-9-15)18(13-4-2-1-3-5-13)25-12-17(23)22-19(24)21-16-10-11-16/h1-9,16,18H,10-12H2,(H2,21,22,23,24)
InChIKeyZXWSKHJOLIKVMS-UHFFFAOYSA-N
XLogP4.15
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.89
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-[(4-chlorophenyl)-phenylmethyl]sulfanylacetyl]amino]-N-cyclopropylbenzamide
CID 55489531
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-ethylacetamide
CID 4799568
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-[2-(methylamino)ethyl]acetamide
CID 119500116
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(3-methylpiperidin-4-yl)acetamide
CID 120553350
2-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]sulfanylbenzoic acid
CID 43241360
2-(2-aminophenyl)sulfanyl-N-(cyclopropylcarbamoyl)acetamide
CID 43249110
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-(cyclopropylcarbamoyl)acetamide
CID 9335295
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(2-hydroxypropyl)acetamide
CID 78856326
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethanone
CID 52990905
[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
CID 8898048
2-(2-amino-4-chlorophenyl)sulfanyl-N-(cyclopentylcarbamoyl)acetamide
CID 43250989
N-acetyl-2-benzhydrylsulfanylacetamide
CID 23347852

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(cyclopropylcarbamoyl)acetamide?
The IUPAC name of 2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(cyclopropylcarbamoyl)acetamide (CID 86932181) is 2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(cyclopropylcarbamoyl)acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(cyclopropylcarbamoyl)acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(cyclopropylcarbamoyl)acetamide is O=C(CSC(c1ccccc1)c1ccc(Cl)cc1)NC(=O)NC1CC1.
What is the InChIKey of 2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(cyclopropylcarbamoyl)acetamide?
The InChIKey is ZXWSKHJOLIKVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2S/c20-15-8-6-14(7-9-15)18(13-4-2-1-3-5-13)25-12-17(23)22-19(24)21-16-10-11-16/h1-9,16,18H,10-12H2,(H2,21,22,23,24).
What are the key properties of 2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(cyclopropylcarbamoyl)acetamide?
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(cyclopropylcarbamoyl)acetamide has a molecular weight of 374.89 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(cyclopropylcarbamoyl)acetamide is sourced from PubChem (CID 86932181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).