2-[(4-sulfamoylphenyl)carbamoylamino]ethyl prop-2-enoate

C12H15N3O5S — CID 67140737

IUPAC2-[(4-sulfamoylphenyl)carbamoylamino]ethyl prop-2-enoate
SMILESC=CC(=O)OCCNC(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C12H15N3O5S/c1-2-11(16)20-8-7-14-12(17)15-9-3-5-10(6-4-9)21(13,18)19/h2-6H,1,7-8H2,(H2,13,18,19)(H2,14,15,17)
InChIKeyBCQDNOISFZMNJO-UHFFFAOYSA-N
MW313.34 g/mol
LogP0.18
Rot. Bonds6

About 2-[(4-sulfamoylphenyl)carbamoylamino]ethyl prop-2-enoate

2-[(4-sulfamoylphenyl)carbamoylamino]ethyl prop-2-enoate (PubChem CID 67140737) has the molecular formula C12H15N3O5S and a molecular weight of 313.34 g/mol. Its IUPAC name is 2-[(4-sulfamoylphenyl)carbamoylamino]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[(4-sulfamoylphenyl)carbamoylamino]ethyl prop-2-enoate
PubChem CID67140737
Molecular FormulaC12H15N3O5S
Molecular Weight313.34 g/mol
Exact Mass313.07
IUPAC Name2-[(4-sulfamoylphenyl)carbamoylamino]ethyl prop-2-enoate
SMILESC=CC(=O)OCCNC(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C12H15N3O5S/c1-2-11(16)20-8-7-14-12(17)15-9-3-5-10(6-4-9)21(13,18)19/h2-6H,1,7-8H2,(H2,13,18,19)(H2,14,15,17)
InChIKeyBCQDNOISFZMNJO-UHFFFAOYSA-N
XLogP0.18
TPSA127.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(2-oxoethyl)-3-(4-sulfamoylphenyl)urea
CID 146027008
1-(2-methoxyethoxymethyl)-3-(4-sulfamoylphenyl)urea
CID 108894310
2-[[4-[4-[2-(2-methylprop-2-enoyloxy)ethylcarbamoylamino]phenyl]sulfonylphenyl]carbamoylamino]ethyl 2-methylprop-2-enoate
CID 59017101
2-methylidene-5-[(4-sulfamoylphenyl)carbamoylamino]pentanoic acid
CID 90311544
1-[3-(4-methylphenoxy)propyl]-3-(4-sulfamoylphenyl)urea
CID 108881255
N-[4-[2-(4-sulfamoylphenyl)ethylcarbamoylamino]phenyl]acetamide
CID 108989678
1-(4-chlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 1130083
1-(4-sulfamoylphenyl)-3-(3-triethoxysilylpropyl)urea
CID 102277551
lithium N-(2-prop-2-enoyloxyethyl)carbamate
CID 140879488
1-(4-ethoxyphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 25040507
[(4-sulfamoylphenyl)carbamoylamino] 2-methylprop-2-enoate
CID 175278982
1-(4-propan-2-yloxyphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 51116713

Frequently Asked Questions

What is the IUPAC name of 2-[(4-sulfamoylphenyl)carbamoylamino]ethyl prop-2-enoate?
The IUPAC name of 2-[(4-sulfamoylphenyl)carbamoylamino]ethyl prop-2-enoate (CID 67140737) is 2-[(4-sulfamoylphenyl)carbamoylamino]ethyl prop-2-enoate.
What is the SMILES notation for 2-[(4-sulfamoylphenyl)carbamoylamino]ethyl prop-2-enoate?
The canonical SMILES for 2-[(4-sulfamoylphenyl)carbamoylamino]ethyl prop-2-enoate is C=CC(=O)OCCNC(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 2-[(4-sulfamoylphenyl)carbamoylamino]ethyl prop-2-enoate?
The InChIKey is BCQDNOISFZMNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5S/c1-2-11(16)20-8-7-14-12(17)15-9-3-5-10(6-4-9)21(13,18)19/h2-6H,1,7-8H2,(H2,13,18,19)(H2,14,15,17).
What are the key properties of 2-[(4-sulfamoylphenyl)carbamoylamino]ethyl prop-2-enoate?
2-[(4-sulfamoylphenyl)carbamoylamino]ethyl prop-2-enoate has a molecular weight of 313.34 g/mol, XLogP of 0.18, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-sulfamoylphenyl)carbamoylamino]ethyl prop-2-enoate is sourced from PubChem (CID 67140737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).