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

C16H17BrN4O4S — CID 25408659

IUPAC(3R)-3-(3-bromophenyl)-3-(carbamoylamino)-N-(4-sulfamoylphenyl)propanamide
SMILESNC(=O)N[C@H](CC(=O)Nc1ccc(S(N)(=O)=O)cc1)c1cccc(Br)c1
InChIInChI=1S/C16H17BrN4O4S/c17-11-3-1-2-10(8-11)14(21-16(18)23)9-15(22)20-12-4-6-13(7-5-12)26(19,24)25/h1-8,14H,9H2,(H,20,22)(H3,18,21,23)(H2,19,24,25)/t14-/m1/s1
InChIKeyAVPVKZYQMFODMF-CQSZACIVSA-N
MW441.31 g/mol
LogP1.83
Rot. Bonds6

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

(3R)-3-(3-bromophenyl)-3-(carbamoylamino)-N-(4-sulfamoylphenyl)propanamide (PubChem CID 25408659) has the molecular formula C16H17BrN4O4S and a molecular weight of 441.31 g/mol. Its IUPAC name is (3R)-3-(3-bromophenyl)-3-(carbamoylamino)-N-(4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name(3R)-3-(3-bromophenyl)-3-(carbamoylamino)-N-(4-sulfamoylphenyl)propanamide
PubChem CID25408659
Molecular FormulaC16H17BrN4O4S
Molecular Weight441.31 g/mol
Exact Mass440.02
IUPAC Name(3R)-3-(3-bromophenyl)-3-(carbamoylamino)-N-(4-sulfamoylphenyl)propanamide
SMILESNC(=O)N[C@H](CC(=O)Nc1ccc(S(N)(=O)=O)cc1)c1cccc(Br)c1
InChIInChI=1S/C16H17BrN4O4S/c17-11-3-1-2-10(8-11)14(21-16(18)23)9-15(22)20-12-4-6-13(7-5-12)26(19,24)25/h1-8,14H,9H2,(H,20,22)(H3,18,21,23)(H2,19,24,25)/t14-/m1/s1
InChIKeyAVPVKZYQMFODMF-CQSZACIVSA-N
XLogP1.83
TPSA144.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.31
LogP ≤ 51.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-bromophenyl)-3-(carbamoylamino)-N-(4-methyl-3-sulfamoylphenyl)propanamide
CID 24637720
(3S)-3-(3-bromophenyl)-3-(carbamoylamino)-N-pyridin-3-ylpropanamide
CID 2450506
3-(3-bromophenyl)-3-(carbamoylamino)-N-(6-methoxy-3-pyridinyl)propanamide
CID 24635207
2-(3-bromophenoxy)-N-(4-sulfamoylphenyl)acetamide
CID 1120128
[3-[2-(2-bromobenzoyl)hydrazinyl]-1-(3-bromophenyl)-3-oxopropyl]urea
CID 24643247
(3R)-3-(3-bromophenyl)-3-(carbamoylamino)-N-cyclohexylpropanamide
CID 32704367
(3R)-3-(4-bromophenyl)-3-(carbamoylamino)-N-(3-propan-2-ylphenyl)propanamide
CID 51724863
(3R)-3-(3-bromophenyl)-3-(carbamoylamino)-N-(2-piperidin-1-ylphenyl)propanamide
CID 30284468
3-(carbamoylamino)-3-(3-phenoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 4850353
(3S)-3-(3-bromophenyl)-3-(carbamoylamino)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 38713066
(3R)-3-(carbamoylamino)-3-(2-chlorophenyl)-N-(3-sulfamoylphenyl)propanamide
CID 8008810
3-(carbamoylamino)-3-(2-chlorophenyl)-N-(3-sulfamoylphenyl)propanamide
CID 4846215

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3-bromophenyl)-3-(carbamoylamino)-N-(4-sulfamoylphenyl)propanamide?
The IUPAC name of (3R)-3-(3-bromophenyl)-3-(carbamoylamino)-N-(4-sulfamoylphenyl)propanamide (CID 25408659) is (3R)-3-(3-bromophenyl)-3-(carbamoylamino)-N-(4-sulfamoylphenyl)propanamide.
What is the SMILES notation for (3R)-3-(3-bromophenyl)-3-(carbamoylamino)-N-(4-sulfamoylphenyl)propanamide?
The canonical SMILES for (3R)-3-(3-bromophenyl)-3-(carbamoylamino)-N-(4-sulfamoylphenyl)propanamide is NC(=O)N[C@H](CC(=O)Nc1ccc(S(N)(=O)=O)cc1)c1cccc(Br)c1.
What is the InChIKey of (3R)-3-(3-bromophenyl)-3-(carbamoylamino)-N-(4-sulfamoylphenyl)propanamide?
The InChIKey is AVPVKZYQMFODMF-CQSZACIVSA-N. The full InChI is InChI=1S/C16H17BrN4O4S/c17-11-3-1-2-10(8-11)14(21-16(18)23)9-15(22)20-12-4-6-13(7-5-12)26(19,24)25/h1-8,14H,9H2,(H,20,22)(H3,18,21,23)(H2,19,24,25)/t14-/m1/s1.
What are the key properties of (3R)-3-(3-bromophenyl)-3-(carbamoylamino)-N-(4-sulfamoylphenyl)propanamide?
(3R)-3-(3-bromophenyl)-3-(carbamoylamino)-N-(4-sulfamoylphenyl)propanamide has a molecular weight of 441.31 g/mol, XLogP of 1.83, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3-bromophenyl)-3-(carbamoylamino)-N-(4-sulfamoylphenyl)propanamide is sourced from PubChem (CID 25408659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).