N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]-2-ethylbutanamide

C16H32N2O3S — CID 113068127

IUPACN-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCCN(C1CCCCCC1)S(C)(=O)=O
InChIInChI=1S/C16H32N2O3S/c1-4-14(5-2)16(19)17-12-13-18(22(3,20)21)15-10-8-6-7-9-11-15/h14-15H,4-13H2,1-3H3,(H,17,19)
InChIKeyGMLQARYUJSMZFI-UHFFFAOYSA-N
MW332.51 g/mol
LogP2.52
Rot. Bonds8

About N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]-2-ethylbutanamide

N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]-2-ethylbutanamide (PubChem CID 113068127) has the molecular formula C16H32N2O3S and a molecular weight of 332.51 g/mol. Its IUPAC name is N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]-2-ethylbutanamide
PubChem CID113068127
Molecular FormulaC16H32N2O3S
Molecular Weight332.51 g/mol
Exact Mass332.21
IUPAC NameN-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCCN(C1CCCCCC1)S(C)(=O)=O
InChIInChI=1S/C16H32N2O3S/c1-4-14(5-2)16(19)17-12-13-18(22(3,20)21)15-10-8-6-7-9-11-15/h14-15H,4-13H2,1-3H3,(H,17,19)
InChIKeyGMLQARYUJSMZFI-UHFFFAOYSA-N
XLogP2.52
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.51
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]-2-ethylbutanamide 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

ethyl 4-[2-(2-ethylbutanoylamino)ethyl-methylsulfonylamino]piperidine-1-carboxylate
CID 113067916
N-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]cyclopropanecarboxamide
CID 113065794
N-[2-[cyclopentyl(methylsulfonyl)amino]ethyl]cyclohexanecarboxamide
CID 113065694
N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]cyclohexanecarboxamide
CID 113068124
1-[2-[cyclopentyl(methylsulfonyl)amino]ethyl]-3-propan-2-ylurea
CID 113065754
N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]-3-methylbutanamide
CID 113068123
N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]pentanamide
CID 113068122
1-cyclohexyl-3-[2-[cyclopentyl(methylsulfonyl)amino]ethyl]urea
CID 113065748
1-cyclohexyl-3-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]urea
CID 113065144
N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]-2-(2-fluorophenyl)acetamide
CID 113068164
N-butyl-3-[cyclohexyl(methylsulfonyl)amino]propanamide
CID 113137366
2-chloro-N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]benzamide
CID 113068154

Frequently Asked Questions

What is the IUPAC name of N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]-2-ethylbutanamide?
The IUPAC name of N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]-2-ethylbutanamide (CID 113068127) is N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]-2-ethylbutanamide.
What is the SMILES notation for N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]-2-ethylbutanamide?
The canonical SMILES for N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]-2-ethylbutanamide is CCC(CC)C(=O)NCCN(C1CCCCCC1)S(C)(=O)=O.
What is the InChIKey of N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]-2-ethylbutanamide?
The InChIKey is GMLQARYUJSMZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O3S/c1-4-14(5-2)16(19)17-12-13-18(22(3,20)21)15-10-8-6-7-9-11-15/h14-15H,4-13H2,1-3H3,(H,17,19).
What are the key properties of N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]-2-ethylbutanamide?
N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]-2-ethylbutanamide has a molecular weight of 332.51 g/mol, XLogP of 2.52, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]-2-ethylbutanamide is sourced from PubChem (CID 113068127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).