3-[4-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]phenyl]propanoate

C19H17N2O4S2- — CID 8002269

IUPAC3-[4-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]phenyl]propanoate
SMILESCc1nc(-c2cccc(NS(=O)(=O)c3ccc(CCC(=O)[O-])cc3)c2)cs1
InChIInChI=1S/C19H18N2O4S2/c1-13-20-18(12-26-13)15-3-2-4-16(11-15)21-27(24,25)17-8-5-14(6-9-17)7-10-19(22)23/h2-6,8-9,11-12,21H,7,10H2,1H3,(H,22,23)/p-1
InChIKeyDVAKZABAHMNVBV-UHFFFAOYSA-M
MW401.49 g/mol
LogP2.60
Rot. Bonds7

About 3-[4-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]phenyl]propanoate

3-[4-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]phenyl]propanoate (PubChem CID 8002269) has the molecular formula C19H17N2O4S2- and a molecular weight of 401.49 g/mol. Its IUPAC name is 3-[4-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]phenyl]propanoate.

Molecular Properties

Compound Name3-[4-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]phenyl]propanoate
PubChem CID8002269
Molecular FormulaC19H17N2O4S2-
Molecular Weight401.49 g/mol
Exact Mass401.06
IUPAC Name3-[4-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]phenyl]propanoate
SMILESCc1nc(-c2cccc(NS(=O)(=O)c3ccc(CCC(=O)[O-])cc3)c2)cs1
InChIInChI=1S/C19H18N2O4S2/c1-13-20-18(12-26-13)15-3-2-4-16(11-15)21-27(24,25)17-8-5-14(6-9-17)7-10-19(22)23/h2-6,8-9,11-12,21H,7,10H2,1H3,(H,22,23)/p-1
InChIKeyDVAKZABAHMNVBV-UHFFFAOYSA-M
XLogP2.60
TPSA99.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]phenyl]propanoate
CID 8841474
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 684183
3-[4-(tert-butylsulfamoyl)phenyl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 100796453
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2,4-dioxo-1,5-dihydro-1,5-benzodiazepine-7-sulfonamide
CID 22109313
2-methyl-4-[3-(sulfamoylamino)phenyl]-1,3-thiazole
CID 112573268
2,5-difluoro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 9240048
4-methyl-3-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]benzoic acid
CID 8823584
1-(3,5-difluorophenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanesulfonamide
CID 122286051
6-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[4-[3-[(4-pentylphenyl)sulfonylamino]phenyl]-1,3-thiazol-2-yl]hexanamide
CID 168859169
3-[4-[(4-phenylphenyl)sulfamoyl]phenyl]propanoate
CID 8009335
3-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanoate
CID 9235026
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 46492108

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]phenyl]propanoate?
The IUPAC name of 3-[4-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]phenyl]propanoate (CID 8002269) is 3-[4-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]phenyl]propanoate.
What is the SMILES notation for 3-[4-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]phenyl]propanoate?
The canonical SMILES for 3-[4-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]phenyl]propanoate is Cc1nc(-c2cccc(NS(=O)(=O)c3ccc(CCC(=O)[O-])cc3)c2)cs1.
What is the InChIKey of 3-[4-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]phenyl]propanoate?
The InChIKey is DVAKZABAHMNVBV-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H18N2O4S2/c1-13-20-18(12-26-13)15-3-2-4-16(11-15)21-27(24,25)17-8-5-14(6-9-17)7-10-19(22)23/h2-6,8-9,11-12,21H,7,10H2,1H3,(H,22,23)/p-1.
What are the key properties of 3-[4-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]phenyl]propanoate?
3-[4-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]phenyl]propanoate has a molecular weight of 401.49 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]phenyl]propanoate is sourced from PubChem (CID 8002269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).