3-(3-bromophenyl)-3-(carbamoylamino)-N-(4-methyl-3-sulfamoylphenyl)propanamide

C17H19BrN4O4S — CID 24637720

IUPAC3-(3-bromophenyl)-3-(carbamoylamino)-N-(4-methyl-3-sulfamoylphenyl)propanamide
SMILESCc1ccc(NC(=O)CC(NC(N)=O)c2cccc(Br)c2)cc1S(N)(=O)=O
InChIInChI=1S/C17H19BrN4O4S/c1-10-5-6-13(8-15(10)27(20,25)26)21-16(23)9-14(22-17(19)24)11-3-2-4-12(18)7-11/h2-8,14H,9H2,1H3,(H,21,23)(H3,19,22,24)(H2,20,25,26)
InChIKeyLLCOMRHYMAIYQN-UHFFFAOYSA-N
MW455.33 g/mol
LogP2.14
Rot. Bonds6

About 3-(3-bromophenyl)-3-(carbamoylamino)-N-(4-methyl-3-sulfamoylphenyl)propanamide

3-(3-bromophenyl)-3-(carbamoylamino)-N-(4-methyl-3-sulfamoylphenyl)propanamide (PubChem CID 24637720) has the molecular formula C17H19BrN4O4S and a molecular weight of 455.33 g/mol. Its IUPAC name is 3-(3-bromophenyl)-3-(carbamoylamino)-N-(4-methyl-3-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name3-(3-bromophenyl)-3-(carbamoylamino)-N-(4-methyl-3-sulfamoylphenyl)propanamide
PubChem CID24637720
Molecular FormulaC17H19BrN4O4S
Molecular Weight455.33 g/mol
Exact Mass454.03
IUPAC Name3-(3-bromophenyl)-3-(carbamoylamino)-N-(4-methyl-3-sulfamoylphenyl)propanamide
SMILESCc1ccc(NC(=O)CC(NC(N)=O)c2cccc(Br)c2)cc1S(N)(=O)=O
InChIInChI=1S/C17H19BrN4O4S/c1-10-5-6-13(8-15(10)27(20,25)26)21-16(23)9-14(22-17(19)24)11-3-2-4-12(18)7-11/h2-8,14H,9H2,1H3,(H,21,23)(H3,19,22,24)(H2,20,25,26)
InChIKeyLLCOMRHYMAIYQN-UHFFFAOYSA-N
XLogP2.14
TPSA144.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.33
LogP ≤ 52.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-(3-bromophenyl)-3-(carbamoylamino)-N-(4-sulfamoylphenyl)propanamide
CID 25408659
(3S)-3-acetamido-N-(4-methyl-3-sulfamoylphenyl)-3-phenylpropanamide
CID 9141020
(3R)-3-acetamido-N-(4-methyl-3-sulfamoylphenyl)-3-phenylpropanamide
CID 9141022
3-(3-bromophenyl)-3-(carbamoylamino)-N-(6-methoxy-3-pyridinyl)propanamide
CID 24635207
(3S)-3-(3-bromophenyl)-3-(carbamoylamino)-N-pyridin-3-ylpropanamide
CID 2450506
(3R)-3-(4-bromophenyl)-3-(carbamoylamino)-N-(3-fluoro-4-methylphenyl)propanamide
CID 51727191
(3R)-3-(4-bromophenyl)-3-(carbamoylamino)-N-(3-propan-2-ylphenyl)propanamide
CID 51724863
[3-[2-(2-bromobenzoyl)hydrazinyl]-1-(3-bromophenyl)-3-oxopropyl]urea
CID 24643247
3-acetamido-N-(3-bromophenyl)-3-phenylpropanamide
CID 22107830
(3R)-3-acetamido-N-(4-methoxy-3-sulfamoylphenyl)-3-phenylpropanamide
CID 7999988
(3R)-3-(3-bromophenyl)-3-(carbamoylamino)-N-cyclohexylpropanamide
CID 32704367
2-(3-bromophenoxy)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
CID 9012584

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-3-(carbamoylamino)-N-(4-methyl-3-sulfamoylphenyl)propanamide?
The IUPAC name of 3-(3-bromophenyl)-3-(carbamoylamino)-N-(4-methyl-3-sulfamoylphenyl)propanamide (CID 24637720) is 3-(3-bromophenyl)-3-(carbamoylamino)-N-(4-methyl-3-sulfamoylphenyl)propanamide.
What is the SMILES notation for 3-(3-bromophenyl)-3-(carbamoylamino)-N-(4-methyl-3-sulfamoylphenyl)propanamide?
The canonical SMILES for 3-(3-bromophenyl)-3-(carbamoylamino)-N-(4-methyl-3-sulfamoylphenyl)propanamide is Cc1ccc(NC(=O)CC(NC(N)=O)c2cccc(Br)c2)cc1S(N)(=O)=O.
What is the InChIKey of 3-(3-bromophenyl)-3-(carbamoylamino)-N-(4-methyl-3-sulfamoylphenyl)propanamide?
The InChIKey is LLCOMRHYMAIYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN4O4S/c1-10-5-6-13(8-15(10)27(20,25)26)21-16(23)9-14(22-17(19)24)11-3-2-4-12(18)7-11/h2-8,14H,9H2,1H3,(H,21,23)(H3,19,22,24)(H2,20,25,26).
What are the key properties of 3-(3-bromophenyl)-3-(carbamoylamino)-N-(4-methyl-3-sulfamoylphenyl)propanamide?
3-(3-bromophenyl)-3-(carbamoylamino)-N-(4-methyl-3-sulfamoylphenyl)propanamide has a molecular weight of 455.33 g/mol, XLogP of 2.14, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-3-(carbamoylamino)-N-(4-methyl-3-sulfamoylphenyl)propanamide is sourced from PubChem (CID 24637720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).