2-[(4-fluorophenyl)sulfonylamino]-4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-5-carboxamide

C19H19FN4O5S3 — CID 16944617

IUPAC2-[(4-fluorophenyl)sulfonylamino]-4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(NS(=O)(=O)c2ccc(F)cc2)sc1C(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C19H19FN4O5S3/c1-12-17(18(25)22-11-10-13-2-6-15(7-3-13)31(21,26)27)30-19(23-12)24-32(28,29)16-8-4-14(20)5-9-16/h2-9H,10-11H2,1H3,(H,22,25)(H,23,24)(H2,21,26,27)
InChIKeyLGIMCSWDYRYZMO-UHFFFAOYSA-N
MW498.58 g/mol
LogP2.01
Rot. Bonds8

About 2-[(4-fluorophenyl)sulfonylamino]-4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-5-carboxamide

2-[(4-fluorophenyl)sulfonylamino]-4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 16944617) has the molecular formula C19H19FN4O5S3 and a molecular weight of 498.58 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)sulfonylamino]-4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)sulfonylamino]-4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-5-carboxamide
PubChem CID16944617
Molecular FormulaC19H19FN4O5S3
Molecular Weight498.58 g/mol
Exact Mass498.05
IUPAC Name2-[(4-fluorophenyl)sulfonylamino]-4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(NS(=O)(=O)c2ccc(F)cc2)sc1C(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C19H19FN4O5S3/c1-12-17(18(25)22-11-10-13-2-6-15(7-3-13)31(21,26)27)30-19(23-12)24-32(28,29)16-8-4-14(20)5-9-16/h2-9H,10-11H2,1H3,(H,22,25)(H,23,24)(H2,21,26,27)
InChIKeyLGIMCSWDYRYZMO-UHFFFAOYSA-N
XLogP2.01
TPSA148.32 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.58
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(4-fluorophenyl)sulfonylamino]-4-methyl-N-(3-methylbutyl)-1,3-thiazole-5-carboxamide
CID 16944507
N-[(4-fluorophenyl)methyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-5-carboxamide
CID 16944816
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-5-carboxamide
CID 16944828
N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16944521
2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide
CID 16944943
4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]thiadiazole-5-carboxamide
CID 7576744
2-[(4-chlorophenyl)sulfonylamino]-N-[2-(3-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 16944745
2-(2-chlorophenyl)-4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-5-carboxamide
CID 42571000
N-(4-fluorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16802460
N-(4-bromophenyl)-2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16944549
N,N-dibutyl-2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16944479
N-(4-bromo-3-methylphenyl)-2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16944585

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)sulfonylamino]-4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(4-fluorophenyl)sulfonylamino]-4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-5-carboxamide (CID 16944617) is 2-[(4-fluorophenyl)sulfonylamino]-4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(4-fluorophenyl)sulfonylamino]-4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(4-fluorophenyl)sulfonylamino]-4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-5-carboxamide is Cc1nc(NS(=O)(=O)c2ccc(F)cc2)sc1C(=O)NCCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)sulfonylamino]-4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is LGIMCSWDYRYZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O5S3/c1-12-17(18(25)22-11-10-13-2-6-15(7-3-13)31(21,26)27)30-19(23-12)24-32(28,29)16-8-4-14(20)5-9-16/h2-9H,10-11H2,1H3,(H,22,25)(H,23,24)(H2,21,26,27).
What are the key properties of 2-[(4-fluorophenyl)sulfonylamino]-4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-5-carboxamide?
2-[(4-fluorophenyl)sulfonylamino]-4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 498.58 g/mol, XLogP of 2.01, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)sulfonylamino]-4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 16944617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).