1-[[2-chloro-5-(methylsulfamoyl)benzoyl]amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea

C13H19ClN4O4S2 — CID 9477944

IUPAC1-[[2-chloro-5-(methylsulfamoyl)benzoyl]amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea
SMILESCNS(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=S)N[C@H](C)COC)c1
InChIInChI=1S/C13H19ClN4O4S2/c1-8(7-22-3)16-13(23)18-17-12(19)10-6-9(4-5-11(10)14)24(20,21)15-2/h4-6,8,15H,7H2,1-3H3,(H,17,19)(H2,16,18,23)/t8-/m1/s1
InChIKeyJPKBKXBXVKIZTB-MRVPVSSYSA-N
MW394.91 g/mol
LogP0.39
Rot. Bonds6

About 1-[[2-chloro-5-(methylsulfamoyl)benzoyl]amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea

1-[[2-chloro-5-(methylsulfamoyl)benzoyl]amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea (PubChem CID 9477944) has the molecular formula C13H19ClN4O4S2 and a molecular weight of 394.91 g/mol. Its IUPAC name is 1-[[2-chloro-5-(methylsulfamoyl)benzoyl]amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea.

Molecular Properties

Compound Name1-[[2-chloro-5-(methylsulfamoyl)benzoyl]amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea
PubChem CID9477944
Molecular FormulaC13H19ClN4O4S2
Molecular Weight394.91 g/mol
Exact Mass394.05
IUPAC Name1-[[2-chloro-5-(methylsulfamoyl)benzoyl]amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea
SMILESCNS(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=S)N[C@H](C)COC)c1
InChIInChI=1S/C13H19ClN4O4S2/c1-8(7-22-3)16-13(23)18-17-12(19)10-6-9(4-5-11(10)14)24(20,21)15-2/h4-6,8,15H,7H2,1-3H3,(H,17,19)(H2,16,18,23)/t8-/m1/s1
InChIKeyJPKBKXBXVKIZTB-MRVPVSSYSA-N
XLogP0.39
TPSA108.56 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.91
LogP ≤ 50.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[[2-chloro-5-(methylsulfamoyl)benzoyl]amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2-chloro-5-nitrobenzoyl)amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea
CID 9478236
1-[[4-(ethylsulfamoyl)benzoyl]amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea
CID 9477966
2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]-N-(1-methoxypropan-2-yl)benzamide
CID 43006083
1-[(2R)-1-methoxypropan-2-yl]-3-[(2,4,5-trimethoxybenzoyl)amino]thiourea
CID 9478668
2-chloro-N-(1-methoxypropan-2-yl)-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 18161222
1-[(2-benzoylbenzoyl)amino]-3-[(2S)-1-methoxypropan-2-yl]thiourea
CID 9086909
4-chloro-3-[[(4-chlorobenzoyl)amino]carbamoyl]-N-methylbenzenesulfonamide
CID 9442420
1-[(6-chloropyridine-3-carbonyl)amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea
CID 9478408
2-chloro-N-[1-(4-ethylphenyl)-2-methylpropyl]-5-(methylsulfamoyl)benzamide
CID 55511325
2-chloro-N-(1-methoxypropan-2-yl)-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 43882765
5-(tert-butylsulfamoyl)-N-(1-methoxypropan-2-yl)-2-methylbenzamide
CID 51144217
1-[[2-[(3,4-dichlorophenyl)methylsulfanyl]acetyl]amino]-3-[(2S)-1-methoxypropan-2-yl]thiourea
CID 9477702

Frequently Asked Questions

What is the IUPAC name of 1-[[2-chloro-5-(methylsulfamoyl)benzoyl]amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea?
The IUPAC name of 1-[[2-chloro-5-(methylsulfamoyl)benzoyl]amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea (CID 9477944) is 1-[[2-chloro-5-(methylsulfamoyl)benzoyl]amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea.
What is the SMILES notation for 1-[[2-chloro-5-(methylsulfamoyl)benzoyl]amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea?
The canonical SMILES for 1-[[2-chloro-5-(methylsulfamoyl)benzoyl]amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea is CNS(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=S)N[C@H](C)COC)c1.
What is the InChIKey of 1-[[2-chloro-5-(methylsulfamoyl)benzoyl]amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea?
The InChIKey is JPKBKXBXVKIZTB-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H19ClN4O4S2/c1-8(7-22-3)16-13(23)18-17-12(19)10-6-9(4-5-11(10)14)24(20,21)15-2/h4-6,8,15H,7H2,1-3H3,(H,17,19)(H2,16,18,23)/t8-/m1/s1.
What are the key properties of 1-[[2-chloro-5-(methylsulfamoyl)benzoyl]amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea?
1-[[2-chloro-5-(methylsulfamoyl)benzoyl]amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea has a molecular weight of 394.91 g/mol, XLogP of 0.39, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-chloro-5-(methylsulfamoyl)benzoyl]amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea is sourced from PubChem (CID 9477944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).