2-(2-methyl-N-methylsulfonylanilino)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

C17H21N3O3S2 — CID 8025177

IUPAC2-(2-methyl-N-methylsulfonylanilino)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
SMILESCc1ccccc1N(CC(=O)Nc1nc2c(s1)CCCC2)S(C)(=O)=O
InChIInChI=1S/C17H21N3O3S2/c1-12-7-3-5-9-14(12)20(25(2,22)23)11-16(21)19-17-18-13-8-4-6-10-15(13)24-17/h3,5,7,9H,4,6,8,10-11H2,1-2H3,(H,18,19,21)
InChIKeyCDAHLMQUHPAXAR-UHFFFAOYSA-N
MW379.51 g/mol
LogP2.74
Rot. Bonds5

About 2-(2-methyl-N-methylsulfonylanilino)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

2-(2-methyl-N-methylsulfonylanilino)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide (PubChem CID 8025177) has the molecular formula C17H21N3O3S2 and a molecular weight of 379.51 g/mol. Its IUPAC name is 2-(2-methyl-N-methylsulfonylanilino)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-methyl-N-methylsulfonylanilino)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
PubChem CID8025177
Molecular FormulaC17H21N3O3S2
Molecular Weight379.51 g/mol
Exact Mass379.10
IUPAC Name2-(2-methyl-N-methylsulfonylanilino)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
SMILESCc1ccccc1N(CC(=O)Nc1nc2c(s1)CCCC2)S(C)(=O)=O
InChIInChI=1S/C17H21N3O3S2/c1-12-7-3-5-9-14(12)20(25(2,22)23)11-16(21)19-17-18-13-8-4-6-10-15(13)24-17/h3,5,7,9H,4,6,8,10-11H2,1-2H3,(H,18,19,21)
InChIKeyCDAHLMQUHPAXAR-UHFFFAOYSA-N
XLogP2.74
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2-methyl-N-methylsulfonylanilino)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide with MolForge

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Related Compounds

N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 30969500
2-(2-methylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 6466381
2-(2-methyl-N-methylsulfonylanilino)-N-naphthalen-1-ylacetamide
CID 1372880
3-(benzenesulfonyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
CID 5310254
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 24568505
2-(2-methyl-N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 1317403
N-[2-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-ylamino)-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 47070902
N-[2-(N-methylanilino)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 55726000
3-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide
CID 2931255
2-phenylsulfanyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 2931402
N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 33041075
N-[4-(1-adamantyl)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 23875417

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-N-methylsulfonylanilino)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(2-methyl-N-methylsulfonylanilino)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide (CID 8025177) is 2-(2-methyl-N-methylsulfonylanilino)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2-methyl-N-methylsulfonylanilino)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(2-methyl-N-methylsulfonylanilino)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide is Cc1ccccc1N(CC(=O)Nc1nc2c(s1)CCCC2)S(C)(=O)=O.
What is the InChIKey of 2-(2-methyl-N-methylsulfonylanilino)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is CDAHLMQUHPAXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S2/c1-12-7-3-5-9-14(12)20(25(2,22)23)11-16(21)19-17-18-13-8-4-6-10-15(13)24-17/h3,5,7,9H,4,6,8,10-11H2,1-2H3,(H,18,19,21).
What are the key properties of 2-(2-methyl-N-methylsulfonylanilino)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
2-(2-methyl-N-methylsulfonylanilino)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 379.51 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-N-methylsulfonylanilino)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 8025177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).