[(2S)-1-[2-[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]hydrazinyl]-1-oxopropan-2-yl]urea

C18H21N5O6S — CID 2520940

IUPAC[(2S)-1-[2-[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]hydrazinyl]-1-oxopropan-2-yl]urea
SMILESCOc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)[C@H](C)NC(N)=O)c1
InChIInChI=1S/C18H21N5O6S/c1-11(20-18(19)26)16(24)21-22-17(25)12-6-5-7-13(10-12)30(27,28)23-14-8-3-4-9-15(14)29-2/h3-11,23H,1-2H3,(H,21,24)(H,22,25)(H3,19,20,26)/t11-/m0/s1
InChIKeyUJBLYELGKFWFJA-NSHDSACASA-N
MW435.46 g/mol
LogP0.31
Rot. Bonds7

About [(2S)-1-[2-[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]hydrazinyl]-1-oxopropan-2-yl]urea

[(2S)-1-[2-[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]hydrazinyl]-1-oxopropan-2-yl]urea (PubChem CID 2520940) has the molecular formula C18H21N5O6S and a molecular weight of 435.46 g/mol. Its IUPAC name is [(2S)-1-[2-[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]hydrazinyl]-1-oxopropan-2-yl]urea.

Molecular Properties

Compound Name[(2S)-1-[2-[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]hydrazinyl]-1-oxopropan-2-yl]urea
PubChem CID2520940
Molecular FormulaC18H21N5O6S
Molecular Weight435.46 g/mol
Exact Mass435.12
IUPAC Name[(2S)-1-[2-[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]hydrazinyl]-1-oxopropan-2-yl]urea
SMILESCOc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)[C@H](C)NC(N)=O)c1
InChIInChI=1S/C18H21N5O6S/c1-11(20-18(19)26)16(24)21-22-17(25)12-6-5-7-13(10-12)30(27,28)23-14-8-3-4-9-15(14)29-2/h3-11,23H,1-2H3,(H,21,24)(H,22,25)(H3,19,20,26)/t11-/m0/s1
InChIKeyUJBLYELGKFWFJA-NSHDSACASA-N
XLogP0.31
TPSA168.72 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.46
LogP ≤ 50.31
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyphenyl)-3-[(2-methylbutanoylamino)carbamoyl]benzenesulfonamide
CID 24622460
N-(2-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26538254
3-[(cyclopropanecarbonylamino)carbamoyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 2666822
3-[(2-methoxyphenyl)sulfamoyl]-N-(2-methylpropyl)benzamide
CID 51163765
3-[(furan-2-carbonylamino)carbamoyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 2084798
N-[1-[2-[3-[(2-chlorophenyl)sulfamoyl]benzoyl]hydrazinyl]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 24654446
N-(2-methoxyphenyl)-3-[[(4-pyrrol-1-ylbenzoyl)amino]carbamoyl]benzenesulfonamide
CID 24517530
propan-2-yl 3-[(2-methoxyphenyl)sulfamoyl]benzoate
CID 35468470
3-[[(4-acetyl-1H-pyrrole-2-carbonyl)amino]carbamoyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 24502638
3-[[[(2R)-2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]propanoyl]amino]carbamoyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 136772625
N-[(1R)-1-cyanopropyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 167976299
N-[(2R)-2-(ethylamino)propyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 120653897

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[2-[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]hydrazinyl]-1-oxopropan-2-yl]urea?
The IUPAC name of [(2S)-1-[2-[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]hydrazinyl]-1-oxopropan-2-yl]urea (CID 2520940) is [(2S)-1-[2-[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]hydrazinyl]-1-oxopropan-2-yl]urea.
What is the SMILES notation for [(2S)-1-[2-[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]hydrazinyl]-1-oxopropan-2-yl]urea?
The canonical SMILES for [(2S)-1-[2-[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]hydrazinyl]-1-oxopropan-2-yl]urea is COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)[C@H](C)NC(N)=O)c1.
What is the InChIKey of [(2S)-1-[2-[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]hydrazinyl]-1-oxopropan-2-yl]urea?
The InChIKey is UJBLYELGKFWFJA-NSHDSACASA-N. The full InChI is InChI=1S/C18H21N5O6S/c1-11(20-18(19)26)16(24)21-22-17(25)12-6-5-7-13(10-12)30(27,28)23-14-8-3-4-9-15(14)29-2/h3-11,23H,1-2H3,(H,21,24)(H,22,25)(H3,19,20,26)/t11-/m0/s1.
What are the key properties of [(2S)-1-[2-[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]hydrazinyl]-1-oxopropan-2-yl]urea?
[(2S)-1-[2-[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]hydrazinyl]-1-oxopropan-2-yl]urea has a molecular weight of 435.46 g/mol, XLogP of 0.31, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[2-[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]hydrazinyl]-1-oxopropan-2-yl]urea is sourced from PubChem (CID 2520940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).