methyl 2-carbamoyl-1-[[3-[(4-methoxyphenyl)sulfonylamino]phenyl]methyl]cyclopropane-1-carboxylate

C20H22N2O6S — CID 23567663

IUPACmethyl 2-carbamoyl-1-[[3-[(4-methoxyphenyl)sulfonylamino]phenyl]methyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(Cc2cccc(NS(=O)(=O)c3ccc(OC)cc3)c2)CC1C(N)=O
InChIInChI=1S/C20H22N2O6S/c1-27-15-6-8-16(9-7-15)29(25,26)22-14-5-3-4-13(10-14)11-20(19(24)28-2)12-17(20)18(21)23/h3-10,17,22H,11-12H2,1-2H3,(H2,21,23)
InChIKeyWURRCBCLRYAKKG-UHFFFAOYSA-N
MW418.47 g/mol
LogP1.70
Rot. Bonds8

About methyl 2-carbamoyl-1-[[3-[(4-methoxyphenyl)sulfonylamino]phenyl]methyl]cyclopropane-1-carboxylate

methyl 2-carbamoyl-1-[[3-[(4-methoxyphenyl)sulfonylamino]phenyl]methyl]cyclopropane-1-carboxylate (PubChem CID 23567663) has the molecular formula C20H22N2O6S and a molecular weight of 418.47 g/mol. Its IUPAC name is methyl 2-carbamoyl-1-[[3-[(4-methoxyphenyl)sulfonylamino]phenyl]methyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-carbamoyl-1-[[3-[(4-methoxyphenyl)sulfonylamino]phenyl]methyl]cyclopropane-1-carboxylate
PubChem CID23567663
Molecular FormulaC20H22N2O6S
Molecular Weight418.47 g/mol
Exact Mass418.12
IUPAC Namemethyl 2-carbamoyl-1-[[3-[(4-methoxyphenyl)sulfonylamino]phenyl]methyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(Cc2cccc(NS(=O)(=O)c3ccc(OC)cc3)c2)CC1C(N)=O
InChIInChI=1S/C20H22N2O6S/c1-27-15-6-8-16(9-7-15)29(25,26)22-14-5-3-4-13(10-14)11-20(19(24)28-2)12-17(20)18(21)23/h3-10,17,22H,11-12H2,1-2H3,(H2,21,23)
InChIKeyWURRCBCLRYAKKG-UHFFFAOYSA-N
XLogP1.70
TPSA124.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 2-carbamoyl-1-[[3-[(4-methoxyphenyl)sulfonylamino]phenyl]methyl]cyclopropane-1-carboxylate with MolForge

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Related Compounds

N-[[3-[(4-methoxyphenyl)sulfonylamino]phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119325854
N-benzyl-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 7542047
N-[(2R)-2-bicyclo[2.2.1]heptanyl]-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 133203406
4-methoxy-N-(3-methylsulfanylphenyl)benzenesulfonamide
CID 836468
4-methoxy-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzenesulfonamide
CID 24650343
3-[3-[(4-ethoxyphenyl)sulfonylamino]phenyl]propyl acetate
CID 75524807
2-[4-[(3-methoxyphenyl)sulfamoyl]phenyl]acetic acid
CID 69449790
4-methoxy-N-phenylbenzenesulfonamide
CID 835273
N-[3-(methoxymethyl)phenyl]-4-methylsulfanylbenzenesulfonamide
CID 95050814
N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)-3-[(4-methoxyphenyl)sulfonylamino]benzenesulfonamide
CID 8603434
3-[(4-methoxyphenyl)sulfonylamino]-N-[4-[4-[[3-[(4-methoxyphenyl)sulfonylamino]benzoyl]amino]phenyl]phenyl]benzamide
CID 121043305
(4-methoxyphenyl)sulfonyl-[3-[(4-methoxyphenyl)sulfonylamino]phenyl]azanide
CID 4749902

Frequently Asked Questions

What is the IUPAC name of methyl 2-carbamoyl-1-[[3-[(4-methoxyphenyl)sulfonylamino]phenyl]methyl]cyclopropane-1-carboxylate?
The IUPAC name of methyl 2-carbamoyl-1-[[3-[(4-methoxyphenyl)sulfonylamino]phenyl]methyl]cyclopropane-1-carboxylate (CID 23567663) is methyl 2-carbamoyl-1-[[3-[(4-methoxyphenyl)sulfonylamino]phenyl]methyl]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 2-carbamoyl-1-[[3-[(4-methoxyphenyl)sulfonylamino]phenyl]methyl]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 2-carbamoyl-1-[[3-[(4-methoxyphenyl)sulfonylamino]phenyl]methyl]cyclopropane-1-carboxylate is COC(=O)C1(Cc2cccc(NS(=O)(=O)c3ccc(OC)cc3)c2)CC1C(N)=O.
What is the InChIKey of methyl 2-carbamoyl-1-[[3-[(4-methoxyphenyl)sulfonylamino]phenyl]methyl]cyclopropane-1-carboxylate?
The InChIKey is WURRCBCLRYAKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O6S/c1-27-15-6-8-16(9-7-15)29(25,26)22-14-5-3-4-13(10-14)11-20(19(24)28-2)12-17(20)18(21)23/h3-10,17,22H,11-12H2,1-2H3,(H2,21,23).
What are the key properties of methyl 2-carbamoyl-1-[[3-[(4-methoxyphenyl)sulfonylamino]phenyl]methyl]cyclopropane-1-carboxylate?
methyl 2-carbamoyl-1-[[3-[(4-methoxyphenyl)sulfonylamino]phenyl]methyl]cyclopropane-1-carboxylate has a molecular weight of 418.47 g/mol, XLogP of 1.70, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-carbamoyl-1-[[3-[(4-methoxyphenyl)sulfonylamino]phenyl]methyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 23567663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).