2-[(4-methylcyclohexyl)sulfamoyl]-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]acetamide

C15H28N2O4S — CID 95284178

IUPAC2-[(4-methylcyclohexyl)sulfamoyl]-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]acetamide
SMILESCC1CCC(NS(=O)(=O)CC(=O)N[C@@H](C)[C@H]2CCCO2)CC1
InChIInChI=1S/C15H28N2O4S/c1-11-5-7-13(8-6-11)17-22(19,20)10-15(18)16-12(2)14-4-3-9-21-14/h11-14,17H,3-10H2,1-2H3,(H,16,18)/t11?,12-,13?,14+/m0/s1
InChIKeyBPXKBHDHSNHYHI-GNRIBBGQSA-N
MW332.47 g/mol
LogP1.17
Rot. Bonds6

About 2-[(4-methylcyclohexyl)sulfamoyl]-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]acetamide

2-[(4-methylcyclohexyl)sulfamoyl]-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]acetamide (PubChem CID 95284178) has the molecular formula C15H28N2O4S and a molecular weight of 332.47 g/mol. Its IUPAC name is 2-[(4-methylcyclohexyl)sulfamoyl]-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-[(4-methylcyclohexyl)sulfamoyl]-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]acetamide
PubChem CID95284178
Molecular FormulaC15H28N2O4S
Molecular Weight332.47 g/mol
Exact Mass332.18
IUPAC Name2-[(4-methylcyclohexyl)sulfamoyl]-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]acetamide
SMILESCC1CCC(NS(=O)(=O)CC(=O)N[C@@H](C)[C@H]2CCCO2)CC1
InChIInChI=1S/C15H28N2O4S/c1-11-5-7-13(8-6-11)17-22(19,20)10-15(18)16-12(2)14-4-3-9-21-14/h11-14,17H,3-10H2,1-2H3,(H,16,18)/t11?,12-,13?,14+/m0/s1
InChIKeyBPXKBHDHSNHYHI-GNRIBBGQSA-N
XLogP1.17
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2S)-2-[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]propanoate
CID 52873250
2-hydroxy-N-[1-(oxan-2-yl)ethyl]acetamide
CID 130749825
2,2-dimethyl-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]propanamide
CID 29038214
2-[(4-methylcyclohexyl)sulfamoyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 154747604
N-[1-(oxolan-2-yl)ethyl]cyclopropanecarboxamide
CID 17330465
N-(4-aminocyclohexyl)-2-[(4-methylcyclohexyl)sulfamoyl]acetamide;hydrochloride
CID 119479042
2-[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]-3-phenylpropanoic acid
CID 119165753
2,2-diethyl-4-oxo-4-[1-(oxolan-2-yl)ethylamino]butanoic acid
CID 43533852
2-(3-methylpiperidin-2-yl)-N-[1-(oxolan-2-yl)ethyl]acetamide
CID 107147559
1-cyclohexyl-3-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]urea
CID 27450560
2-(4-chlorophenyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]acetamide
CID 42563052
2-(4-aminophenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide
CID 43533745

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylcyclohexyl)sulfamoyl]-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]acetamide?
The IUPAC name of 2-[(4-methylcyclohexyl)sulfamoyl]-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]acetamide (CID 95284178) is 2-[(4-methylcyclohexyl)sulfamoyl]-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]acetamide.
What is the SMILES notation for 2-[(4-methylcyclohexyl)sulfamoyl]-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]acetamide?
The canonical SMILES for 2-[(4-methylcyclohexyl)sulfamoyl]-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]acetamide is CC1CCC(NS(=O)(=O)CC(=O)N[C@@H](C)[C@H]2CCCO2)CC1.
What is the InChIKey of 2-[(4-methylcyclohexyl)sulfamoyl]-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]acetamide?
The InChIKey is BPXKBHDHSNHYHI-GNRIBBGQSA-N. The full InChI is InChI=1S/C15H28N2O4S/c1-11-5-7-13(8-6-11)17-22(19,20)10-15(18)16-12(2)14-4-3-9-21-14/h11-14,17H,3-10H2,1-2H3,(H,16,18)/t11?,12-,13?,14+/m0/s1.
What are the key properties of 2-[(4-methylcyclohexyl)sulfamoyl]-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]acetamide?
2-[(4-methylcyclohexyl)sulfamoyl]-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]acetamide has a molecular weight of 332.47 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylcyclohexyl)sulfamoyl]-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]acetamide is sourced from PubChem (CID 95284178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).