N-(2-adamantyl)-2-[1-[(3-chloro-2-methylphenyl)sulfonylamino]cyclopropyl]acetamide

C22H29ClN2O3S — CID 54755700

IUPACN-(2-adamantyl)-2-[1-[(3-chloro-2-methylphenyl)sulfonylamino]cyclopropyl]acetamide
SMILESCc1c(Cl)cccc1S(=O)(=O)NC1(CC(=O)NC2C3CC4CC(C3)CC2C4)CC1
InChIInChI=1S/C22H29ClN2O3S/c1-13-18(23)3-2-4-19(13)29(27,28)25-22(5-6-22)12-20(26)24-21-16-8-14-7-15(10-16)11-17(21)9-14/h2-4,14-17,21,25H,5-12H2,1H3,(H,24,26)
InChIKeyWZNOZPSOUUCVKT-UHFFFAOYSA-N
MW437.01 g/mol
LogP3.79
Rot. Bonds6

About N-(2-adamantyl)-2-[1-[(3-chloro-2-methylphenyl)sulfonylamino]cyclopropyl]acetamide

N-(2-adamantyl)-2-[1-[(3-chloro-2-methylphenyl)sulfonylamino]cyclopropyl]acetamide (PubChem CID 54755700) has the molecular formula C22H29ClN2O3S and a molecular weight of 437.01 g/mol. Its IUPAC name is N-(2-adamantyl)-2-[1-[(3-chloro-2-methylphenyl)sulfonylamino]cyclopropyl]acetamide.

Molecular Properties

Compound NameN-(2-adamantyl)-2-[1-[(3-chloro-2-methylphenyl)sulfonylamino]cyclopropyl]acetamide
PubChem CID54755700
Molecular FormulaC22H29ClN2O3S
Molecular Weight437.01 g/mol
Exact Mass436.16
IUPAC NameN-(2-adamantyl)-2-[1-[(3-chloro-2-methylphenyl)sulfonylamino]cyclopropyl]acetamide
SMILESCc1c(Cl)cccc1S(=O)(=O)NC1(CC(=O)NC2C3CC4CC(C3)CC2C4)CC1
InChIInChI=1S/C22H29ClN2O3S/c1-13-18(23)3-2-4-19(13)29(27,28)25-22(5-6-22)12-20(26)24-21-16-8-14-7-15(10-16)11-17(21)9-14/h2-4,14-17,21,25H,5-12H2,1H3,(H,24,26)
InChIKeyWZNOZPSOUUCVKT-UHFFFAOYSA-N
XLogP3.79
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.01
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-adamantyl)-2-[1-[(3-chloro-2-methylphenyl)sulfonylamino]cyclopropyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-2-[1-[(3-chloro-2-methylphenyl)sulfonylamino]cyclopropyl]acetamide?
The IUPAC name of N-(2-adamantyl)-2-[1-[(3-chloro-2-methylphenyl)sulfonylamino]cyclopropyl]acetamide (CID 54755700) is N-(2-adamantyl)-2-[1-[(3-chloro-2-methylphenyl)sulfonylamino]cyclopropyl]acetamide.
What is the SMILES notation for N-(2-adamantyl)-2-[1-[(3-chloro-2-methylphenyl)sulfonylamino]cyclopropyl]acetamide?
The canonical SMILES for N-(2-adamantyl)-2-[1-[(3-chloro-2-methylphenyl)sulfonylamino]cyclopropyl]acetamide is Cc1c(Cl)cccc1S(=O)(=O)NC1(CC(=O)NC2C3CC4CC(C3)CC2C4)CC1.
What is the InChIKey of N-(2-adamantyl)-2-[1-[(3-chloro-2-methylphenyl)sulfonylamino]cyclopropyl]acetamide?
The InChIKey is WZNOZPSOUUCVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29ClN2O3S/c1-13-18(23)3-2-4-19(13)29(27,28)25-22(5-6-22)12-20(26)24-21-16-8-14-7-15(10-16)11-17(21)9-14/h2-4,14-17,21,25H,5-12H2,1H3,(H,24,26).
What are the key properties of N-(2-adamantyl)-2-[1-[(3-chloro-2-methylphenyl)sulfonylamino]cyclopropyl]acetamide?
N-(2-adamantyl)-2-[1-[(3-chloro-2-methylphenyl)sulfonylamino]cyclopropyl]acetamide has a molecular weight of 437.01 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-2-[1-[(3-chloro-2-methylphenyl)sulfonylamino]cyclopropyl]acetamide is sourced from PubChem (CID 54755700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).