4-methyl-N-[2-[(4-methylbenzoyl)amino]-1,3-benzothiazol-6-yl]benzamide

C23H19N3O2S — CID 23741959

IUPAC4-methyl-N-[2-[(4-methylbenzoyl)amino]-1,3-benzothiazol-6-yl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc3nc(NC(=O)c4ccc(C)cc4)sc3c2)cc1
InChIInChI=1S/C23H19N3O2S/c1-14-3-7-16(8-4-14)21(27)24-18-11-12-19-20(13-18)29-23(25-19)26-22(28)17-9-5-15(2)6-10-17/h3-13H,1-2H3,(H,24,27)(H,25,26,28)
InChIKeyKSRSLGDDNVIFMZ-UHFFFAOYSA-N
MW401.49 g/mol
LogP5.42
Rot. Bonds4

About 4-methyl-N-[2-[(4-methylbenzoyl)amino]-1,3-benzothiazol-6-yl]benzamide

4-methyl-N-[2-[(4-methylbenzoyl)amino]-1,3-benzothiazol-6-yl]benzamide (PubChem CID 23741959) has the molecular formula C23H19N3O2S and a molecular weight of 401.49 g/mol. Its IUPAC name is 4-methyl-N-[2-[(4-methylbenzoyl)amino]-1,3-benzothiazol-6-yl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[2-[(4-methylbenzoyl)amino]-1,3-benzothiazol-6-yl]benzamide
PubChem CID23741959
Molecular FormulaC23H19N3O2S
Molecular Weight401.49 g/mol
Exact Mass401.12
IUPAC Name4-methyl-N-[2-[(4-methylbenzoyl)amino]-1,3-benzothiazol-6-yl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc3nc(NC(=O)c4ccc(C)cc4)sc3c2)cc1
InChIInChI=1S/C23H19N3O2S/c1-14-3-7-16(8-4-14)21(27)24-18-11-12-19-20(13-18)29-23(25-19)26-22(28)17-9-5-15(2)6-10-17/h3-13H,1-2H3,(H,24,27)(H,25,26,28)
InChIKeyKSRSLGDDNVIFMZ-UHFFFAOYSA-N
XLogP5.42
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.49
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-1,3-benzothiazol-6-yl)-4-methylbenzamide
CID 19894896
4-(carbamoylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 78768294
N-[2-(benzenesulfonamido)-1,3-benzothiazol-6-yl]-4-methylbenzamide
CID 46291240
N-(6-acetamido-1,3-benzothiazol-2-yl)-3,4-dimethylbenzamide
CID 952086
N-[2-(naphthalene-2-carbonylamino)-1,3-benzothiazol-6-yl]naphthalene-2-carboxamide
CID 4025738
N-[6-[[2-(4-aminophenyl)sulfanylacetyl]amino]-1,3-benzothiazol-2-yl]-4-methylbenzamide
CID 163920324
N-[2-[(3,4-dimethoxybenzoyl)amino]-1,3-benzothiazol-6-yl]-3,4-dimethoxybenzamide
CID 17273906
N-(6-acetamido-1,3-benzothiazol-2-yl)-2,4-dimethylbenzamide
CID 4557017
4-propoxy-N-[2-[(4-propoxybenzoyl)amino]-1,3-benzothiazol-6-yl]benzamide
CID 5104279
N-[2-[(3,5-dimethoxybenzoyl)amino]-1,3-benzothiazol-6-yl]-3,5-dimethoxybenzamide
CID 2332353
N-(2-benzamido-1,3-benzothiazol-6-yl)-4-cyanobenzamide
CID 46290848
N-(2-ethylsulfanyl-1,3-benzothiazol-6-yl)-4-methylbenzamide
CID 937848

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-[(4-methylbenzoyl)amino]-1,3-benzothiazol-6-yl]benzamide?
The IUPAC name of 4-methyl-N-[2-[(4-methylbenzoyl)amino]-1,3-benzothiazol-6-yl]benzamide (CID 23741959) is 4-methyl-N-[2-[(4-methylbenzoyl)amino]-1,3-benzothiazol-6-yl]benzamide.
What is the SMILES notation for 4-methyl-N-[2-[(4-methylbenzoyl)amino]-1,3-benzothiazol-6-yl]benzamide?
The canonical SMILES for 4-methyl-N-[2-[(4-methylbenzoyl)amino]-1,3-benzothiazol-6-yl]benzamide is Cc1ccc(C(=O)Nc2ccc3nc(NC(=O)c4ccc(C)cc4)sc3c2)cc1.
What is the InChIKey of 4-methyl-N-[2-[(4-methylbenzoyl)amino]-1,3-benzothiazol-6-yl]benzamide?
The InChIKey is KSRSLGDDNVIFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2S/c1-14-3-7-16(8-4-14)21(27)24-18-11-12-19-20(13-18)29-23(25-19)26-22(28)17-9-5-15(2)6-10-17/h3-13H,1-2H3,(H,24,27)(H,25,26,28).
What are the key properties of 4-methyl-N-[2-[(4-methylbenzoyl)amino]-1,3-benzothiazol-6-yl]benzamide?
4-methyl-N-[2-[(4-methylbenzoyl)amino]-1,3-benzothiazol-6-yl]benzamide has a molecular weight of 401.49 g/mol, XLogP of 5.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-[(4-methylbenzoyl)amino]-1,3-benzothiazol-6-yl]benzamide is sourced from PubChem (CID 23741959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).