N-cycloheptyl-2-[(3-methylphenyl)sulfonylamino]acetamide

C16H24N2O3S — CID 112995022

IUPACN-cycloheptyl-2-[(3-methylphenyl)sulfonylamino]acetamide
SMILESCc1cccc(S(=O)(=O)NCC(=O)NC2CCCCCC2)c1
InChIInChI=1S/C16H24N2O3S/c1-13-7-6-10-15(11-13)22(20,21)17-12-16(19)18-14-8-4-2-3-5-9-14/h6-7,10-11,14,17H,2-5,8-9,12H2,1H3,(H,18,19)
InChIKeyCOALZYMFITVEPK-UHFFFAOYSA-N
MW324.45 g/mol
LogP2.11
Rot. Bonds5

About N-cycloheptyl-2-[(3-methylphenyl)sulfonylamino]acetamide

N-cycloheptyl-2-[(3-methylphenyl)sulfonylamino]acetamide (PubChem CID 112995022) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-cycloheptyl-2-[(3-methylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-[(3-methylphenyl)sulfonylamino]acetamide
PubChem CID112995022
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC NameN-cycloheptyl-2-[(3-methylphenyl)sulfonylamino]acetamide
SMILESCc1cccc(S(=O)(=O)NCC(=O)NC2CCCCCC2)c1
InChIInChI=1S/C16H24N2O3S/c1-13-7-6-10-15(11-13)22(20,21)17-12-16(19)18-14-8-4-2-3-5-9-14/h6-7,10-11,14,17H,2-5,8-9,12H2,1H3,(H,18,19)
InChIKeyCOALZYMFITVEPK-UHFFFAOYSA-N
XLogP2.11
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-2-[(3-fluorophenyl)sulfonylamino]acetamide
CID 154858378
2-[(4-chloro-3-methylphenyl)sulfonylamino]-N-cyclohexylacetamide
CID 112990970
N-cyclooctyl-3-methylbenzenesulfonamide
CID 2497018
2-[[3-(aminomethyl)phenyl]sulfonylamino]-N-cyclopropylacetamide
CID 43568463
N-cyclohexyl-2-(3-methylphenyl)acetamide
CID 6467373
3-methyl-N-(2-oxopropyl)benzenesulfonamide
CID 64994475
N-cyclohexyl-2-[(3-methylphenyl)methylamino]acetamide
CID 60903369
[2-(cyclohexylamino)-2-oxoethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate
CID 7961771
2-[(3-methylphenyl)sulfonylamino]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]acetamide
CID 121142678
N-cyclohexyl-2-[(4-propan-2-yloxyphenyl)sulfonylamino]acetamide
CID 110285141
2-[(3-carbamimidoylphenyl)sulfonylamino]-N-cyclohexylacetamide;2,2,2-trifluoroacetic acid
CID 71476910
N-cyclohexyl-2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]acetamide
CID 71683883

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-[(3-methylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-cycloheptyl-2-[(3-methylphenyl)sulfonylamino]acetamide (CID 112995022) is N-cycloheptyl-2-[(3-methylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-cycloheptyl-2-[(3-methylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-cycloheptyl-2-[(3-methylphenyl)sulfonylamino]acetamide is Cc1cccc(S(=O)(=O)NCC(=O)NC2CCCCCC2)c1.
What is the InChIKey of N-cycloheptyl-2-[(3-methylphenyl)sulfonylamino]acetamide?
The InChIKey is COALZYMFITVEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-13-7-6-10-15(11-13)22(20,21)17-12-16(19)18-14-8-4-2-3-5-9-14/h6-7,10-11,14,17H,2-5,8-9,12H2,1H3,(H,18,19).
What are the key properties of N-cycloheptyl-2-[(3-methylphenyl)sulfonylamino]acetamide?
N-cycloheptyl-2-[(3-methylphenyl)sulfonylamino]acetamide has a molecular weight of 324.45 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-[(3-methylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 112995022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).