1-[(2-methoxy-5-methylphenyl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid

C18H19NO5S — CID 84563243

IUPAC1-[(2-methoxy-5-methylphenyl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid
SMILESCOc1ccc(C)cc1S(=O)(=O)NC1(C(=O)O)CC1c1ccccc1
InChIInChI=1S/C18H19NO5S/c1-12-8-9-15(24-2)16(10-12)25(22,23)19-18(17(20)21)11-14(18)13-6-4-3-5-7-13/h3-10,14,19H,11H2,1-2H3,(H,20,21)
InChIKeyZXJXSNIIIGRXPD-UHFFFAOYSA-N
MW361.42 g/mol
LogP2.29
Rot. Bonds6

About 1-[(2-methoxy-5-methylphenyl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid

1-[(2-methoxy-5-methylphenyl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid (PubChem CID 84563243) has the molecular formula C18H19NO5S and a molecular weight of 361.42 g/mol. Its IUPAC name is 1-[(2-methoxy-5-methylphenyl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methoxy-5-methylphenyl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid
PubChem CID84563243
Molecular FormulaC18H19NO5S
Molecular Weight361.42 g/mol
Exact Mass361.10
IUPAC Name1-[(2-methoxy-5-methylphenyl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid
SMILESCOc1ccc(C)cc1S(=O)(=O)NC1(C(=O)O)CC1c1ccccc1
InChIInChI=1S/C18H19NO5S/c1-12-8-9-15(24-2)16(10-12)25(22,23)19-18(17(20)21)11-14(18)13-6-4-3-5-7-13/h3-10,14,19H,11H2,1-2H3,(H,20,21)
InChIKeyZXJXSNIIIGRXPD-UHFFFAOYSA-N
XLogP2.29
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-1-[(2-methoxy-5-methylphenyl)sulfonylamino]-2,2-dimethylcyclobutane-1-carboxylic acid
CID 166389073
3-[(2-methoxy-5-methylphenyl)sulfonylamino]oxolane-3-carboxylic acid
CID 64888666
1-[(2-nitrophenyl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid
CID 110504585
trans-methyl (1S,2R)-1-(2-methoxy-5-methylphenyl)-2-phenylcyclopropane-1-carboxylate
CID 162419234
trans-(1R,2S)-1-[(3-phenoxyphenyl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid
CID 67526537
N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methoxy-5-methylbenzenesulfonamide
CID 114631537
N-[2-[(2-methoxy-5-methylphenyl)sulfonylamino]ethyl]benzamide
CID 110292077
(2R)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]-3-phenylpropanamide
CID 28539747
2-(1-adamantyl)-N'-(2-methoxy-5-methylphenyl)sulfonylacetohydrazide
CID 8515821
1-[[2-(2-methoxyphenoxy)acetyl]amino]-2-phenylcyclopropane-1-carboxylic acid
CID 84559632
N'-(2-methoxy-5-methylphenyl)sulfonyl-2-(2-methylphenoxy)acetohydrazide
CID 8515456
(2S)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]propanamide
CID 7393332

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxy-5-methylphenyl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(2-methoxy-5-methylphenyl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid (CID 84563243) is 1-[(2-methoxy-5-methylphenyl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-methoxy-5-methylphenyl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(2-methoxy-5-methylphenyl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid is COc1ccc(C)cc1S(=O)(=O)NC1(C(=O)O)CC1c1ccccc1.
What is the InChIKey of 1-[(2-methoxy-5-methylphenyl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid?
The InChIKey is ZXJXSNIIIGRXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5S/c1-12-8-9-15(24-2)16(10-12)25(22,23)19-18(17(20)21)11-14(18)13-6-4-3-5-7-13/h3-10,14,19H,11H2,1-2H3,(H,20,21).
What are the key properties of 1-[(2-methoxy-5-methylphenyl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid?
1-[(2-methoxy-5-methylphenyl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid has a molecular weight of 361.42 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxy-5-methylphenyl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 84563243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).