N-(cyclopropylmethyl)-2-(2,3-dimethyl-4-sulfamoylphenoxy)acetamide

C14H20N2O4S — CID 82913298

IUPACN-(cyclopropylmethyl)-2-(2,3-dimethyl-4-sulfamoylphenoxy)acetamide
SMILESCc1c(OCC(=O)NCC2CC2)ccc(S(N)(=O)=O)c1C
InChIInChI=1S/C14H20N2O4S/c1-9-10(2)13(21(15,18)19)6-5-12(9)20-8-14(17)16-7-11-3-4-11/h5-6,11H,3-4,7-8H2,1-2H3,(H,16,17)(H2,15,18,19)
InChIKeyUKGNOVNABGJWST-UHFFFAOYSA-N
MW312.39 g/mol
LogP0.86
Rot. Bonds6

About N-(cyclopropylmethyl)-2-(2,3-dimethyl-4-sulfamoylphenoxy)acetamide

N-(cyclopropylmethyl)-2-(2,3-dimethyl-4-sulfamoylphenoxy)acetamide (PubChem CID 82913298) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-(2,3-dimethyl-4-sulfamoylphenoxy)acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-(2,3-dimethyl-4-sulfamoylphenoxy)acetamide
PubChem CID82913298
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC NameN-(cyclopropylmethyl)-2-(2,3-dimethyl-4-sulfamoylphenoxy)acetamide
SMILESCc1c(OCC(=O)NCC2CC2)ccc(S(N)(=O)=O)c1C
InChIInChI=1S/C14H20N2O4S/c1-9-10(2)13(21(15,18)19)6-5-12(9)20-8-14(17)16-7-11-3-4-11/h5-6,11H,3-4,7-8H2,1-2H3,(H,16,17)(H2,15,18,19)
InChIKeyUKGNOVNABGJWST-UHFFFAOYSA-N
XLogP0.86
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-2-(4-methyl-2-sulfamoylphenoxy)acetamide
CID 82921293
N-cyclopropyl-2-(2,3-dimethyl-4-sulfamoylphenoxy)acetamide
CID 82921851
2-(2,3-dimethyl-4-sulfamoylphenoxy)-N-(2-methoxyethyl)acetamide
CID 82913296
4-(cyclopropylmethoxy)-2,3-dimethylbenzenesulfonamide
CID 43560584
2-[2-(cyclopropylmethylamino)-2-oxoethoxy]-5-methylbenzenesulfonyl chloride
CID 82909707
2-(2,3-dimethylphenoxy)-N-[(4-hydroxycyclohexyl)methyl]acetamide
CID 106124065
N-(cyclopropylmethyl)-2,6-dimethoxy-3-sulfamoylbenzamide
CID 65374073
5-chloro-2-[2-(cyclopropylmethylamino)-2-oxoethoxy]benzenesulfonyl chloride
CID 82921961
2-(3-amino-2,6-dimethylphenoxy)-N-(cyclopropylmethyl)acetamide
CID 62019069
2-(2-bromo-4-methylphenoxy)-N-[(4-hydroxycyclohexyl)methyl]acetamide
CID 106123697
3-bromo-4-[2-(cyclopropylmethylamino)-2-oxoethoxy]benzenesulfonyl chloride
CID 82910326
4-(2,3-dimethyl-4-sulfamoylphenoxy)butanoic acid
CID 43342347

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-(2,3-dimethyl-4-sulfamoylphenoxy)acetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-(2,3-dimethyl-4-sulfamoylphenoxy)acetamide (CID 82913298) is N-(cyclopropylmethyl)-2-(2,3-dimethyl-4-sulfamoylphenoxy)acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-(2,3-dimethyl-4-sulfamoylphenoxy)acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-(2,3-dimethyl-4-sulfamoylphenoxy)acetamide is Cc1c(OCC(=O)NCC2CC2)ccc(S(N)(=O)=O)c1C.
What is the InChIKey of N-(cyclopropylmethyl)-2-(2,3-dimethyl-4-sulfamoylphenoxy)acetamide?
The InChIKey is UKGNOVNABGJWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-9-10(2)13(21(15,18)19)6-5-12(9)20-8-14(17)16-7-11-3-4-11/h5-6,11H,3-4,7-8H2,1-2H3,(H,16,17)(H2,15,18,19).
What are the key properties of N-(cyclopropylmethyl)-2-(2,3-dimethyl-4-sulfamoylphenoxy)acetamide?
N-(cyclopropylmethyl)-2-(2,3-dimethyl-4-sulfamoylphenoxy)acetamide has a molecular weight of 312.39 g/mol, XLogP of 0.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-(2,3-dimethyl-4-sulfamoylphenoxy)acetamide is sourced from PubChem (CID 82913298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).