methyl 2-[[4-(methanesulfonamido)phenyl]carbamoylamino]acetate

C11H15N3O5S — CID 108875415

IUPACmethyl 2-[[4-(methanesulfonamido)phenyl]carbamoylamino]acetate
SMILESCOC(=O)CNC(=O)Nc1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C11H15N3O5S/c1-19-10(15)7-12-11(16)13-8-3-5-9(6-4-8)14-20(2,17)18/h3-6,14H,7H2,1-2H3,(H2,12,13,16)
InChIKeyQLBZPTWBORTGRR-UHFFFAOYSA-N
MW301.32 g/mol
LogP0.35
Rot. Bonds5

About methyl 2-[[4-(methanesulfonamido)phenyl]carbamoylamino]acetate

methyl 2-[[4-(methanesulfonamido)phenyl]carbamoylamino]acetate (PubChem CID 108875415) has the molecular formula C11H15N3O5S and a molecular weight of 301.32 g/mol. Its IUPAC name is methyl 2-[[4-(methanesulfonamido)phenyl]carbamoylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[4-(methanesulfonamido)phenyl]carbamoylamino]acetate
PubChem CID108875415
Molecular FormulaC11H15N3O5S
Molecular Weight301.32 g/mol
Exact Mass301.07
IUPAC Namemethyl 2-[[4-(methanesulfonamido)phenyl]carbamoylamino]acetate
SMILESCOC(=O)CNC(=O)Nc1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C11H15N3O5S/c1-19-10(15)7-12-11(16)13-8-3-5-9(6-4-8)14-20(2,17)18/h3-6,14H,7H2,1-2H3,(H2,12,13,16)
InChIKeyQLBZPTWBORTGRR-UHFFFAOYSA-N
XLogP0.35
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(4-acetylphenyl)carbamoylamino]acetate
CID 39733012
1-(3-hydroxypropyl)-3-[4-(methanesulfonamido)phenyl]urea
CID 108875286
1-benzyl-3-[4-(methanesulfonamido)phenyl]urea
CID 32521055
methyl 2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]acetate
CID 115565125
2-[4-[(2-methoxy-2-oxoethyl)carbamoylamino]phenyl]-2-methylpropanoic acid
CID 80549262
1-[4-(methanesulfonamido)phenyl]-3-[(4-methylphenyl)methyl]urea
CID 108875243
1-[4-(methanesulfonamido)phenyl]-3-(pyridin-4-ylmethyl)urea
CID 108875244
1-(4-aminophenyl)-3-[4-(methanesulfonamido)phenyl]urea
CID 108875138
1-(4-acetylphenyl)-3-[4-(methanesulfonamido)phenyl]urea
CID 108875225
2,2-dimethylpropyl N-[4-(methanesulfonamido)phenyl]carbamate
CID 141231042
methyl 2-[(3-hydroxyphenyl)carbamoylamino]acetate
CID 108895907
2-fluoro-4-[(2-methoxy-2-oxoethyl)carbamoylamino]benzoic acid
CID 114002321

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-(methanesulfonamido)phenyl]carbamoylamino]acetate?
The IUPAC name of methyl 2-[[4-(methanesulfonamido)phenyl]carbamoylamino]acetate (CID 108875415) is methyl 2-[[4-(methanesulfonamido)phenyl]carbamoylamino]acetate.
What is the SMILES notation for methyl 2-[[4-(methanesulfonamido)phenyl]carbamoylamino]acetate?
The canonical SMILES for methyl 2-[[4-(methanesulfonamido)phenyl]carbamoylamino]acetate is COC(=O)CNC(=O)Nc1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of methyl 2-[[4-(methanesulfonamido)phenyl]carbamoylamino]acetate?
The InChIKey is QLBZPTWBORTGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5S/c1-19-10(15)7-12-11(16)13-8-3-5-9(6-4-8)14-20(2,17)18/h3-6,14H,7H2,1-2H3,(H2,12,13,16).
What are the key properties of methyl 2-[[4-(methanesulfonamido)phenyl]carbamoylamino]acetate?
methyl 2-[[4-(methanesulfonamido)phenyl]carbamoylamino]acetate has a molecular weight of 301.32 g/mol, XLogP of 0.35, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-(methanesulfonamido)phenyl]carbamoylamino]acetate is sourced from PubChem (CID 108875415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).