N-cycloheptyl-2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]acetamide

C18H28N2O4S — CID 112995017

IUPACN-cycloheptyl-2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]acetamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)NCC(=O)NC1CCCCCC1
InChIInChI=1S/C18H28N2O4S/c1-13-10-16(24-3)17(11-14(13)2)25(22,23)19-12-18(21)20-15-8-6-4-5-7-9-15/h10-11,15,19H,4-9,12H2,1-3H3,(H,20,21)
InChIKeyIUHZIQDIPKVBTG-UHFFFAOYSA-N
MW368.50 g/mol
LogP2.43
Rot. Bonds6

About N-cycloheptyl-2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]acetamide

N-cycloheptyl-2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]acetamide (PubChem CID 112995017) has the molecular formula C18H28N2O4S and a molecular weight of 368.50 g/mol. Its IUPAC name is N-cycloheptyl-2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]acetamide
PubChem CID112995017
Molecular FormulaC18H28N2O4S
Molecular Weight368.50 g/mol
Exact Mass368.18
IUPAC NameN-cycloheptyl-2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]acetamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)NCC(=O)NC1CCCCCC1
InChIInChI=1S/C18H28N2O4S/c1-13-10-16(24-3)17(11-14(13)2)25(22,23)19-12-18(21)20-15-8-6-4-5-7-9-15/h10-11,15,19H,4-9,12H2,1-3H3,(H,20,21)
InChIKeyIUHZIQDIPKVBTG-UHFFFAOYSA-N
XLogP2.43
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]-N-(4-methylphenyl)acetamide
CID 112996215
N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]cyclopropanecarboxamide
CID 108573631
N-cyclohexyl-2,5-dimethoxy-4-methylbenzenesulfonamide
CID 6464098
N-cyclopentyl-2-(2,5-dimethoxy-4-methylphenyl)acetamide
CID 110769695
2-[(4-chloro-3-methylphenyl)sulfonylamino]-N-cyclohexylacetamide
CID 112990970
N-cyclopropyl-2-[[5-(2,5-dioxopyrrolidin-1-yl)-2-methoxyphenyl]sulfonylamino]acetamide
CID 110305273
N-cycloheptyl-2-[(3-methylphenyl)sulfonylamino]acetamide
CID 112995022
N-cyclohexyl-2-[(2,4-difluorophenyl)sulfonylamino]acetamide
CID 51099663
2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 112997229
N-(3,4-difluorophenyl)-2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]acetamide
CID 113002363
2-[(4-amino-3-methoxyphenyl)sulfonylamino]-N-cyclopropylacetamide
CID 81437936
N-cyclohexyl-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 47314932

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-cycloheptyl-2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]acetamide (CID 112995017) is N-cycloheptyl-2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-cycloheptyl-2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-cycloheptyl-2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]acetamide is COc1cc(C)c(C)cc1S(=O)(=O)NCC(=O)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]acetamide?
The InChIKey is IUHZIQDIPKVBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4S/c1-13-10-16(24-3)17(11-14(13)2)25(22,23)19-12-18(21)20-15-8-6-4-5-7-9-15/h10-11,15,19H,4-9,12H2,1-3H3,(H,20,21).
What are the key properties of N-cycloheptyl-2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]acetamide?
N-cycloheptyl-2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]acetamide has a molecular weight of 368.50 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 112995017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).