2-[1,3-benzothiazol-2-ylcarbamoyl(methyl)amino]-N-(3,4-dichlorophenyl)acetamide

C17H14Cl2N4O2S — CID 30260232

IUPAC2-[1,3-benzothiazol-2-ylcarbamoyl(methyl)amino]-N-(3,4-dichlorophenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C17H14Cl2N4O2S/c1-23(9-15(24)20-10-6-7-11(18)12(19)8-10)17(25)22-16-21-13-4-2-3-5-14(13)26-16/h2-8H,9H2,1H3,(H,20,24)(H,21,22,25)
InChIKeyBOROGFIDQIYKGP-UHFFFAOYSA-N
MW409.30 g/mol
LogP4.71
Rot. Bonds4

About 2-[1,3-benzothiazol-2-ylcarbamoyl(methyl)amino]-N-(3,4-dichlorophenyl)acetamide

2-[1,3-benzothiazol-2-ylcarbamoyl(methyl)amino]-N-(3,4-dichlorophenyl)acetamide (PubChem CID 30260232) has the molecular formula C17H14Cl2N4O2S and a molecular weight of 409.30 g/mol. Its IUPAC name is 2-[1,3-benzothiazol-2-ylcarbamoyl(methyl)amino]-N-(3,4-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[1,3-benzothiazol-2-ylcarbamoyl(methyl)amino]-N-(3,4-dichlorophenyl)acetamide
PubChem CID30260232
Molecular FormulaC17H14Cl2N4O2S
Molecular Weight409.30 g/mol
Exact Mass408.02
IUPAC Name2-[1,3-benzothiazol-2-ylcarbamoyl(methyl)amino]-N-(3,4-dichlorophenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C17H14Cl2N4O2S/c1-23(9-15(24)20-10-6-7-11(18)12(19)8-10)17(25)22-16-21-13-4-2-3-5-14(13)26-16/h2-8H,9H2,1H3,(H,20,24)(H,21,22,25)
InChIKeyBOROGFIDQIYKGP-UHFFFAOYSA-N
XLogP4.71
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.30
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[1,3-benzothiazol-2-ylcarbamoyl(methyl)amino]-N-(3,4-dichlorophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3,4-dichlorophenyl)carbamoyl-methylamino]-N-(4-methylphenyl)acetamide
CID 27869715
N-(3,4-dichlorophenyl)-2-[methyl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamoyl]amino]acetamide
CID 78875068
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylbenzamide
CID 7718956
N-(1,3-benzothiazol-2-yl)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetamide
CID 78821067
N-(4-acetamidophenyl)-2-[1,3-benzothiazol-2-yl(methyl)amino]acetamide
CID 90605410
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-ethyl-N-methylbutanamide
CID 112791638
N-(1,3-benzothiazol-2-yl)-2-chloro-5-hydroxybenzamide
CID 106501274
1-[4-[4-(1,3-benzothiazol-2-ylamino)phenoxy]phenyl]-3-(3,4-dichlorophenyl)urea
CID 155806670
N-(3,4-dichlorophenyl)-2-[methyl-[(3-nitrophenyl)carbamoyl]amino]acetamide
CID 31680461
5-acetyl-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 9091886
N-(3,4-dichlorophenyl)-2-[(2,4-difluorophenyl)carbamoyl-methylamino]acetamide
CID 55432424
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N,2,4-trimethyl-1,3-thiazole-5-carboxamide
CID 78771511

Frequently Asked Questions

What is the IUPAC name of 2-[1,3-benzothiazol-2-ylcarbamoyl(methyl)amino]-N-(3,4-dichlorophenyl)acetamide?
The IUPAC name of 2-[1,3-benzothiazol-2-ylcarbamoyl(methyl)amino]-N-(3,4-dichlorophenyl)acetamide (CID 30260232) is 2-[1,3-benzothiazol-2-ylcarbamoyl(methyl)amino]-N-(3,4-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[1,3-benzothiazol-2-ylcarbamoyl(methyl)amino]-N-(3,4-dichlorophenyl)acetamide?
The canonical SMILES for 2-[1,3-benzothiazol-2-ylcarbamoyl(methyl)amino]-N-(3,4-dichlorophenyl)acetamide is CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)Nc1nc2ccccc2s1.
What is the InChIKey of 2-[1,3-benzothiazol-2-ylcarbamoyl(methyl)amino]-N-(3,4-dichlorophenyl)acetamide?
The InChIKey is BOROGFIDQIYKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N4O2S/c1-23(9-15(24)20-10-6-7-11(18)12(19)8-10)17(25)22-16-21-13-4-2-3-5-14(13)26-16/h2-8H,9H2,1H3,(H,20,24)(H,21,22,25).
What are the key properties of 2-[1,3-benzothiazol-2-ylcarbamoyl(methyl)amino]-N-(3,4-dichlorophenyl)acetamide?
2-[1,3-benzothiazol-2-ylcarbamoyl(methyl)amino]-N-(3,4-dichlorophenyl)acetamide has a molecular weight of 409.30 g/mol, XLogP of 4.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,3-benzothiazol-2-ylcarbamoyl(methyl)amino]-N-(3,4-dichlorophenyl)acetamide is sourced from PubChem (CID 30260232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).