N-[2-(cycloheptylamino)ethyl]-2-[4-(difluoromethylsulfonyl)phenyl]acetamide;hydrochloride

C18H27ClF2N2O3S — CID 119620018

IUPACN-[2-(cycloheptylamino)ethyl]-2-[4-(difluoromethylsulfonyl)phenyl]acetamide;hydrochloride
SMILESCl.O=C(Cc1ccc(S(=O)(=O)C(F)F)cc1)NCCNC1CCCCCC1
InChIInChI=1S/C18H26F2N2O3S.ClH/c19-18(20)26(24,25)16-9-7-14(8-10-16)13-17(23)22-12-11-21-15-5-3-1-2-4-6-15;/h7-10,15,18,21H,1-6,11-13H2,(H,22,23);1H
InChIKeyULXKHQCTYGEZBB-UHFFFAOYSA-N
MW424.94 g/mol
LogP3.08
Rot. Bonds8

About N-[2-(cycloheptylamino)ethyl]-2-[4-(difluoromethylsulfonyl)phenyl]acetamide;hydrochloride

N-[2-(cycloheptylamino)ethyl]-2-[4-(difluoromethylsulfonyl)phenyl]acetamide;hydrochloride (PubChem CID 119620018) has the molecular formula C18H27ClF2N2O3S and a molecular weight of 424.94 g/mol. Its IUPAC name is N-[2-(cycloheptylamino)ethyl]-2-[4-(difluoromethylsulfonyl)phenyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(cycloheptylamino)ethyl]-2-[4-(difluoromethylsulfonyl)phenyl]acetamide;hydrochloride
PubChem CID119620018
Molecular FormulaC18H27ClF2N2O3S
Molecular Weight424.94 g/mol
Exact Mass424.14
IUPAC NameN-[2-(cycloheptylamino)ethyl]-2-[4-(difluoromethylsulfonyl)phenyl]acetamide;hydrochloride
SMILESCl.O=C(Cc1ccc(S(=O)(=O)C(F)F)cc1)NCCNC1CCCCCC1
InChIInChI=1S/C18H26F2N2O3S.ClH/c19-18(20)26(24,25)16-9-7-14(8-10-16)13-17(23)22-12-11-21-15-5-3-1-2-4-6-15;/h7-10,15,18,21H,1-6,11-13H2,(H,22,23);1H
InChIKeyULXKHQCTYGEZBB-UHFFFAOYSA-N
XLogP3.08
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.94
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-(cycloheptylamino)ethyl]-2-[4-(difluoromethylsulfonyl)phenyl]acetamide;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-(cycloheptylamino)ethyl]-2-(4-fluorophenyl)acetamide
CID 78987135
N-[2-(cycloheptylamino)ethyl]-3-(4-fluorophenyl)sulfonylbutanamide;hydrochloride
CID 119619656
N-[2-[2-(cycloheptylamino)ethylamino]-2-oxoethyl]-2-phenylacetamide;hydrochloride
CID 119619460
2-[4-(difluoromethylsulfonyl)phenyl]-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119511600
2-[4-(difluoromethylsulfonyl)phenyl]-N-piperidin-3-ylacetamide
CID 119426046
4-[[2-[4-(difluoromethylsulfonyl)phenyl]acetyl]amino]butanoic acid
CID 119352372
N-[2-(cycloheptylamino)ethyl]-2-(3-fluorophenyl)acetamide;hydrochloride
CID 119261120
N-[2-(aminomethyl)cyclohexyl]-2-[4-(difluoromethylsulfonyl)phenyl]acetamide;hydrochloride
CID 119610407
2-[[2-[4-(difluoromethylsulfonyl)phenyl]acetyl]amino]acetic acid
CID 119349957
2-[4-(difluoromethylsulfonyl)phenyl]-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119561309
N-[2-(cyclopropylamino)ethyl]-2-(4-methylphenyl)acetamide
CID 55100633
N-[1-(aminomethyl)cyclopentyl]-2-[4-(difluoromethylsulfonyl)phenyl]acetamide;hydrochloride
CID 119566169

Frequently Asked Questions

What is the IUPAC name of N-[2-(cycloheptylamino)ethyl]-2-[4-(difluoromethylsulfonyl)phenyl]acetamide;hydrochloride?
The IUPAC name of N-[2-(cycloheptylamino)ethyl]-2-[4-(difluoromethylsulfonyl)phenyl]acetamide;hydrochloride (CID 119620018) is N-[2-(cycloheptylamino)ethyl]-2-[4-(difluoromethylsulfonyl)phenyl]acetamide;hydrochloride.
What is the SMILES notation for N-[2-(cycloheptylamino)ethyl]-2-[4-(difluoromethylsulfonyl)phenyl]acetamide;hydrochloride?
The canonical SMILES for N-[2-(cycloheptylamino)ethyl]-2-[4-(difluoromethylsulfonyl)phenyl]acetamide;hydrochloride is Cl.O=C(Cc1ccc(S(=O)(=O)C(F)F)cc1)NCCNC1CCCCCC1.
What is the InChIKey of N-[2-(cycloheptylamino)ethyl]-2-[4-(difluoromethylsulfonyl)phenyl]acetamide;hydrochloride?
The InChIKey is ULXKHQCTYGEZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F2N2O3S.ClH/c19-18(20)26(24,25)16-9-7-14(8-10-16)13-17(23)22-12-11-21-15-5-3-1-2-4-6-15;/h7-10,15,18,21H,1-6,11-13H2,(H,22,23);1H.
What are the key properties of N-[2-(cycloheptylamino)ethyl]-2-[4-(difluoromethylsulfonyl)phenyl]acetamide;hydrochloride?
N-[2-(cycloheptylamino)ethyl]-2-[4-(difluoromethylsulfonyl)phenyl]acetamide;hydrochloride has a molecular weight of 424.94 g/mol, XLogP of 3.08, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cycloheptylamino)ethyl]-2-[4-(difluoromethylsulfonyl)phenyl]acetamide;hydrochloride is sourced from PubChem (CID 119620018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).