N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide

C22H24N4O4S2 — CID 3886646

IUPACN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
SMILESCOc1ccc(-c2csc(NC(=O)c3cccc(S(=O)(=O)N4CCN(C)CC4)c3)n2)cc1
InChIInChI=1S/C22H24N4O4S2/c1-25-10-12-26(13-11-25)32(28,29)19-5-3-4-17(14-19)21(27)24-22-23-20(15-31-22)16-6-8-18(30-2)9-7-16/h3-9,14-15H,10-13H2,1-2H3,(H,23,24,27)
InChIKeyHSCLJTVDUOOMTL-UHFFFAOYSA-N
MW472.59 g/mol
LogP3.01
Rot. Bonds6

About N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide

N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide (PubChem CID 3886646) has the molecular formula C22H24N4O4S2 and a molecular weight of 472.59 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
PubChem CID3886646
Molecular FormulaC22H24N4O4S2
Molecular Weight472.59 g/mol
Exact Mass472.12
IUPAC NameN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
SMILESCOc1ccc(-c2csc(NC(=O)c3cccc(S(=O)(=O)N4CCN(C)CC4)c3)n2)cc1
InChIInChI=1S/C22H24N4O4S2/c1-25-10-12-26(13-11-25)32(28,29)19-5-3-4-17(14-19)21(27)24-22-23-20(15-31-22)16-6-8-18(30-2)9-7-16/h3-9,14-15H,10-13H2,1-2H3,(H,23,24,27)
InChIKeyHSCLJTVDUOOMTL-UHFFFAOYSA-N
XLogP3.01
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ML277
CID 53347902
4-Methoxy-N-(4-phenyl-2-thiazolyl)benzamide
CID 668712
4-methoxy-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide
CID 980159
N-ethyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 862702
2-Methoxy-N-{4-[4-(morpholine-4-sulfonyl)-phenyl]-thiazol-2-yl}-benzamide
CID 979629
3-methoxy-N-{4-[4-(4-morpholinylsulfonyl)phenyl]-1,3-thiazol-2-yl}benzamide
CID 1290059
3-ethoxy-N-{4-[4-(4-morpholinylsulfonyl)phenyl]-1,3-thiazol-2-yl}benzamide
CID 1303721
2-[(3,4-difluorophenyl)sulfonylamino]-N-[4-(4-methoxyphenyl)thiazol-2-yl]benzamide
CID 2374706
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 4162891
(S)-benzyl 1-(4-(4-methoxyphenyl)thiazol-2-ylamino)-1-oxo-6-(sulfamoylamino)hexan-2-ylcarbamate
CID 44572406
4-(dimethylsulfamoyl)-N-[4-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]benzamide
CID 2095839
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide
CID 2331868

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide?
The IUPAC name of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide (CID 3886646) is N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide is COc1ccc(-c2csc(NC(=O)c3cccc(S(=O)(=O)N4CCN(C)CC4)c3)n2)cc1.
What is the InChIKey of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide?
The InChIKey is HSCLJTVDUOOMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4S2/c1-25-10-12-26(13-11-25)32(28,29)19-5-3-4-17(14-19)21(27)24-22-23-20(15-31-22)16-6-8-18(30-2)9-7-16/h3-9,14-15H,10-13H2,1-2H3,(H,23,24,27).
What are the key properties of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide?
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide has a molecular weight of 472.59 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 3886646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).