[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-[(2,5-dichlorophenyl)sulfamoyl]-4-methoxybenzoate

C18H17Cl2N3O7S — CID 2481604

IUPAC[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-[(2,5-dichlorophenyl)sulfamoyl]-4-methoxybenzoate
SMILESCOc1ccc(C(=O)O[C@@H](C)C(=O)NC(N)=O)cc1S(=O)(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C18H17Cl2N3O7S/c1-9(16(24)22-18(21)26)30-17(25)10-3-6-14(29-2)15(7-10)31(27,28)23-13-8-11(19)4-5-12(13)20/h3-9,23H,1-2H3,(H3,21,22,24,26)/t9-/m0/s1
InChIKeyPKBTVVACRSIIEU-VIFPVBQESA-N
MW490.32 g/mol
LogP2.54
Rot. Bonds7

About [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-[(2,5-dichlorophenyl)sulfamoyl]-4-methoxybenzoate

[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-[(2,5-dichlorophenyl)sulfamoyl]-4-methoxybenzoate (PubChem CID 2481604) has the molecular formula C18H17Cl2N3O7S and a molecular weight of 490.32 g/mol. Its IUPAC name is [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-[(2,5-dichlorophenyl)sulfamoyl]-4-methoxybenzoate.

Molecular Properties

Compound Name[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-[(2,5-dichlorophenyl)sulfamoyl]-4-methoxybenzoate
PubChem CID2481604
Molecular FormulaC18H17Cl2N3O7S
Molecular Weight490.32 g/mol
Exact Mass489.02
IUPAC Name[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-[(2,5-dichlorophenyl)sulfamoyl]-4-methoxybenzoate
SMILESCOc1ccc(C(=O)O[C@@H](C)C(=O)NC(N)=O)cc1S(=O)(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C18H17Cl2N3O7S/c1-9(16(24)22-18(21)26)30-17(25)10-3-6-14(29-2)15(7-10)31(27,28)23-13-8-11(19)4-5-12(13)20/h3-9,23H,1-2H3,(H3,21,22,24,26)/t9-/m0/s1
InChIKeyPKBTVVACRSIIEU-VIFPVBQESA-N
XLogP2.54
TPSA153.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.32
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-[(2,5-dichlorophenyl)sulfamoyl]-4-methoxybenzoate with MolForge

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Related Compounds

[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-chloro-3-[(2,5-dichlorophenyl)sulfamoyl]benzoate
CID 40956085
3-[(2,5-dichlorophenyl)sulfamoyl]-4-methoxy-N-(3-methylbutan-2-yl)benzamide
CID 43016572
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-chloro-3-sulfamoylbenzoate
CID 2638592
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3,4-dichlorobenzoate
CID 7864757
[(2R)-1-[2-chloro-5-(trifluoromethyl)anilino]-1-oxopropan-2-yl] 3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-4-methoxybenzoate
CID 99675810
methyl 3-[(2,5-dichlorophenyl)sulfamoyl]-4-fluorobenzoate
CID 95036267
[1-(carbamoylamino)-1-oxopropan-2-yl] 4-chlorobenzoate
CID 16540210
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-chlorobenzoate
CID 2629299
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-chloro-3-(diethylsulfamoyl)benzoate
CID 2637819
[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 3,4-dimethylbenzoate
CID 3600010
[1-(carbamoylamino)-1-oxopropan-2-yl] 3-chlorobenzoate
CID 46790569
N-(2,5-dichlorophenyl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 40742127

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-[(2,5-dichlorophenyl)sulfamoyl]-4-methoxybenzoate?
The IUPAC name of [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-[(2,5-dichlorophenyl)sulfamoyl]-4-methoxybenzoate (CID 2481604) is [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-[(2,5-dichlorophenyl)sulfamoyl]-4-methoxybenzoate.
What is the SMILES notation for [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-[(2,5-dichlorophenyl)sulfamoyl]-4-methoxybenzoate?
The canonical SMILES for [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-[(2,5-dichlorophenyl)sulfamoyl]-4-methoxybenzoate is COc1ccc(C(=O)O[C@@H](C)C(=O)NC(N)=O)cc1S(=O)(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-[(2,5-dichlorophenyl)sulfamoyl]-4-methoxybenzoate?
The InChIKey is PKBTVVACRSIIEU-VIFPVBQESA-N. The full InChI is InChI=1S/C18H17Cl2N3O7S/c1-9(16(24)22-18(21)26)30-17(25)10-3-6-14(29-2)15(7-10)31(27,28)23-13-8-11(19)4-5-12(13)20/h3-9,23H,1-2H3,(H3,21,22,24,26)/t9-/m0/s1.
What are the key properties of [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-[(2,5-dichlorophenyl)sulfamoyl]-4-methoxybenzoate?
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-[(2,5-dichlorophenyl)sulfamoyl]-4-methoxybenzoate has a molecular weight of 490.32 g/mol, XLogP of 2.54, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-[(2,5-dichlorophenyl)sulfamoyl]-4-methoxybenzoate is sourced from PubChem (CID 2481604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).