3-[(2-cyclopentylacetyl)amino]-4-methyl-N-(2-methylsulfonylethyl)benzamide

C18H26N2O4S — CID 172665679

IUPAC3-[(2-cyclopentylacetyl)amino]-4-methyl-N-(2-methylsulfonylethyl)benzamide
SMILESCc1ccc(C(=O)NCCS(C)(=O)=O)cc1NC(=O)CC1CCCC1
InChIInChI=1S/C18H26N2O4S/c1-13-7-8-15(18(22)19-9-10-25(2,23)24)12-16(13)20-17(21)11-14-5-3-4-6-14/h7-8,12,14H,3-6,9-11H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyBWDDPZSAAKXKCR-UHFFFAOYSA-N
MW366.48 g/mol
LogP2.29
Rot. Bonds7

About 3-[(2-cyclopentylacetyl)amino]-4-methyl-N-(2-methylsulfonylethyl)benzamide

3-[(2-cyclopentylacetyl)amino]-4-methyl-N-(2-methylsulfonylethyl)benzamide (PubChem CID 172665679) has the molecular formula C18H26N2O4S and a molecular weight of 366.48 g/mol. Its IUPAC name is 3-[(2-cyclopentylacetyl)amino]-4-methyl-N-(2-methylsulfonylethyl)benzamide.

Molecular Properties

Compound Name3-[(2-cyclopentylacetyl)amino]-4-methyl-N-(2-methylsulfonylethyl)benzamide
PubChem CID172665679
Molecular FormulaC18H26N2O4S
Molecular Weight366.48 g/mol
Exact Mass366.16
IUPAC Name3-[(2-cyclopentylacetyl)amino]-4-methyl-N-(2-methylsulfonylethyl)benzamide
SMILESCc1ccc(C(=O)NCCS(C)(=O)=O)cc1NC(=O)CC1CCCC1
InChIInChI=1S/C18H26N2O4S/c1-13-7-8-15(18(22)19-9-10-25(2,23)24)12-16(13)20-17(21)11-14-5-3-4-6-14/h7-8,12,14H,3-6,9-11H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyBWDDPZSAAKXKCR-UHFFFAOYSA-N
XLogP2.29
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyclopentylacetyl)amino]-4-methyl-N-(2-methylsulfonylethyl)benzamide?
The IUPAC name of 3-[(2-cyclopentylacetyl)amino]-4-methyl-N-(2-methylsulfonylethyl)benzamide (CID 172665679) is 3-[(2-cyclopentylacetyl)amino]-4-methyl-N-(2-methylsulfonylethyl)benzamide.
What is the SMILES notation for 3-[(2-cyclopentylacetyl)amino]-4-methyl-N-(2-methylsulfonylethyl)benzamide?
The canonical SMILES for 3-[(2-cyclopentylacetyl)amino]-4-methyl-N-(2-methylsulfonylethyl)benzamide is Cc1ccc(C(=O)NCCS(C)(=O)=O)cc1NC(=O)CC1CCCC1.
What is the InChIKey of 3-[(2-cyclopentylacetyl)amino]-4-methyl-N-(2-methylsulfonylethyl)benzamide?
The InChIKey is BWDDPZSAAKXKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4S/c1-13-7-8-15(18(22)19-9-10-25(2,23)24)12-16(13)20-17(21)11-14-5-3-4-6-14/h7-8,12,14H,3-6,9-11H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of 3-[(2-cyclopentylacetyl)amino]-4-methyl-N-(2-methylsulfonylethyl)benzamide?
3-[(2-cyclopentylacetyl)amino]-4-methyl-N-(2-methylsulfonylethyl)benzamide has a molecular weight of 366.48 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyclopentylacetyl)amino]-4-methyl-N-(2-methylsulfonylethyl)benzamide is sourced from PubChem (CID 172665679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).