Methyl 2-(cyclobutylmethylsulfonylamino)-4-phenylbenzoate

Name: Methyl 2-(cyclobutylmethylsulfonylamino)-4-phenylbenzoate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₉H₂₁NO₄S — CID 153492288

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACmethyl 2-(cyclobutylmethylsulfonylamino)-4-phenylbenzoate

SMILESCOC(=O)c1ccc(-c2ccccc2)cc1NS(=O)(=O)CC1CCC1

InChIInChI=1S/C19H21NO4S/c1-24-19(21)17-11-10-16(15-8-3-2-4-9-15)12-18(17)20-25(22,23)13-14-6-5-7-14/h2-4,8-12,14,20H,5-7,13H2,1H3

InChIKeyNIGKIWFRPMHJAZ-UHFFFAOYSA-N

MW359.45 g/mol

LogP3.68

Rot. Bonds6

About Methyl 2-(cyclobutylmethylsulfonylamino)-4-phenylbenzoate

Methyl 2-(cyclobutylmethylsulfonylamino)-4-phenylbenzoate (PubChem CID 153492288) has the molecular formula C₁₉H₂₁NO₄S and a molecular weight of 359.45 g/mol. Its IUPAC name is methyl 2-(cyclobutylmethylsulfonylamino)-4-phenylbenzoate.

Molecular Properties

Compound Name	Methyl 2-(cyclobutylmethylsulfonylamino)-4-phenylbenzoate
PubChem CID	153492288
Molecular Formula	C₁₉H₂₁NO₄S
Molecular Weight	359.45 g/mol
Exact Mass	359.12
IUPAC Name	methyl 2-(cyclobutylmethylsulfonylamino)-4-phenylbenzoate
SMILES	COC(=O)c1ccc(-c2ccccc2)cc1NS(=O)(=O)CC1CCC1
InChI	InChI=1S/C19H21NO4S/c1-24-19(21)17-11-10-16(15-8-3-2-4-9-15)12-18(17)20-25(22,23)13-14-6-5-7-14/h2-4,8-12,14,20H,5-7,13H2,1H3
InChIKey	NIGKIWFRPMHJAZ-UHFFFAOYSA-N
XLogP	3.68
TPSA	72.47 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	6
Heavy Atoms	25
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	359.45
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of Methyl 2-(cyclobutylmethylsulfonylamino)-4-phenylbenzoate?

The IUPAC name of Methyl 2-(cyclobutylmethylsulfonylamino)-4-phenylbenzoate (CID 153492288) is methyl 2-(cyclobutylmethylsulfonylamino)-4-phenylbenzoate.

What is the SMILES notation for Methyl 2-(cyclobutylmethylsulfonylamino)-4-phenylbenzoate?

The canonical SMILES for Methyl 2-(cyclobutylmethylsulfonylamino)-4-phenylbenzoate is COC(=O)c1ccc(-c2ccccc2)cc1NS(=O)(=O)CC1CCC1.

What is the InChIKey of Methyl 2-(cyclobutylmethylsulfonylamino)-4-phenylbenzoate?

The InChIKey is NIGKIWFRPMHJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4S/c1-24-19(21)17-11-10-16(15-8-3-2-4-9-15)12-18(17)20-25(22,23)13-14-6-5-7-14/h2-4,8-12,14,20H,5-7,13H2,1H3.

What are the key properties of Methyl 2-(cyclobutylmethylsulfonylamino)-4-phenylbenzoate?

Methyl 2-(cyclobutylmethylsulfonylamino)-4-phenylbenzoate has a molecular weight of 359.45 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Methyl 2-(cyclobutylmethylsulfonylamino)-4-phenylbenzoate is sourced from PubChem (CID 153492288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 153492288 — identifiers, structure, computed properties (public domain)

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