4-[bis(2-methoxyethyl)sulfamoyl]-N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)benzamide

C22H27N3O7S2 — CID 3299690

IUPAC4-[bis(2-methoxyethyl)sulfamoyl]-N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCOCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(OC)cc(OC)cc3s2)cc1
InChIInChI=1S/C22H27N3O7S2/c1-29-11-9-25(10-12-30-2)34(27,28)17-7-5-15(6-8-17)21(26)24-22-23-20-18(32-4)13-16(31-3)14-19(20)33-22/h5-8,13-14H,9-12H2,1-4H3,(H,23,24,26)
InChIKeyHFMRMXMKTUYXKC-UHFFFAOYSA-N
MW509.61 g/mol
LogP2.85
Rot. Bonds12

About 4-[bis(2-methoxyethyl)sulfamoyl]-N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)benzamide

4-[bis(2-methoxyethyl)sulfamoyl]-N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)benzamide (PubChem CID 3299690) has the molecular formula C22H27N3O7S2 and a molecular weight of 509.61 g/mol. Its IUPAC name is 4-[bis(2-methoxyethyl)sulfamoyl]-N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[bis(2-methoxyethyl)sulfamoyl]-N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)benzamide
PubChem CID3299690
Molecular FormulaC22H27N3O7S2
Molecular Weight509.61 g/mol
Exact Mass509.13
IUPAC Name4-[bis(2-methoxyethyl)sulfamoyl]-N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCOCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(OC)cc(OC)cc3s2)cc1
InChIInChI=1S/C22H27N3O7S2/c1-29-11-9-25(10-12-30-2)34(27,28)17-7-5-15(6-8-17)21(26)24-22-23-20-18(32-4)13-16(31-3)14-19(20)33-22/h5-8,13-14H,9-12H2,1-4H3,(H,23,24,26)
InChIKeyHFMRMXMKTUYXKC-UHFFFAOYSA-N
XLogP2.85
TPSA116.29 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.61
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

methyl 2-[[4-[bis(2-methoxyethyl)sulfamoyl]benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 44922187
4-[bis(2-cyanoethyl)sulfamoyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 3382564
4-[[(4,6-difluoro-1,3-benzothiazol-2-yl)amino]carbamoyl]-N,N-bis(2-methoxyethyl)benzenesulfonamide
CID 18553510
N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-4-(3-methylpiperidin-1-yl)sulfonylbenzamide
CID 4161079
N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-1,3-benzothiazole-6-carboxamide
CID 4621786
4-[bis(2-methoxyethyl)sulfamoyl]-N-[4-[4-[[4-[bis(2-methoxyethyl)sulfamoyl]benzoyl]amino]-3-methoxyphenyl]-2-methoxyphenyl]benzamide
CID 4136881
4-(dimethylsulfamoyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 1356009
N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-2,4-dimethoxybenzamide
CID 4062389
4-[bis(2-methoxyethyl)sulfamoyl]-N-(4,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 5053211
N'-(4,6-dimethoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 43953260
4-[bis(2-methoxyethyl)sulfamoyl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 44827026
N-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]-2,4-dimethoxybenzamide
CID 4575833

Frequently Asked Questions

What is the IUPAC name of 4-[bis(2-methoxyethyl)sulfamoyl]-N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 4-[bis(2-methoxyethyl)sulfamoyl]-N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)benzamide (CID 3299690) is 4-[bis(2-methoxyethyl)sulfamoyl]-N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 4-[bis(2-methoxyethyl)sulfamoyl]-N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 4-[bis(2-methoxyethyl)sulfamoyl]-N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)benzamide is COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(OC)cc(OC)cc3s2)cc1.
What is the InChIKey of 4-[bis(2-methoxyethyl)sulfamoyl]-N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is HFMRMXMKTUYXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O7S2/c1-29-11-9-25(10-12-30-2)34(27,28)17-7-5-15(6-8-17)21(26)24-22-23-20-18(32-4)13-16(31-3)14-19(20)33-22/h5-8,13-14H,9-12H2,1-4H3,(H,23,24,26).
What are the key properties of 4-[bis(2-methoxyethyl)sulfamoyl]-N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)benzamide?
4-[bis(2-methoxyethyl)sulfamoyl]-N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 509.61 g/mol, XLogP of 2.85, 12 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(2-methoxyethyl)sulfamoyl]-N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 3299690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).