N,N-dimethyl-3-[[2-[(2-propan-2-yl-1,3-benzothiazol-6-yl)amino]acetyl]amino]benzamide

C21H24N4O2S — CID 60593198

IUPACN,N-dimethyl-3-[[2-[(2-propan-2-yl-1,3-benzothiazol-6-yl)amino]acetyl]amino]benzamide
SMILESCC(C)c1nc2ccc(NCC(=O)Nc3cccc(C(=O)N(C)C)c3)cc2s1
InChIInChI=1S/C21H24N4O2S/c1-13(2)20-24-17-9-8-15(11-18(17)28-20)22-12-19(26)23-16-7-5-6-14(10-16)21(27)25(3)4/h5-11,13,22H,12H2,1-4H3,(H,23,26)
InChIKeyCVKAYISDEMGQPV-UHFFFAOYSA-N
MW396.52 g/mol
LogP4.17
Rot. Bonds6

About N,N-dimethyl-3-[[2-[(2-propan-2-yl-1,3-benzothiazol-6-yl)amino]acetyl]amino]benzamide

N,N-dimethyl-3-[[2-[(2-propan-2-yl-1,3-benzothiazol-6-yl)amino]acetyl]amino]benzamide (PubChem CID 60593198) has the molecular formula C21H24N4O2S and a molecular weight of 396.52 g/mol. Its IUPAC name is N,N-dimethyl-3-[[2-[(2-propan-2-yl-1,3-benzothiazol-6-yl)amino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[[2-[(2-propan-2-yl-1,3-benzothiazol-6-yl)amino]acetyl]amino]benzamide
PubChem CID60593198
Molecular FormulaC21H24N4O2S
Molecular Weight396.52 g/mol
Exact Mass396.16
IUPAC NameN,N-dimethyl-3-[[2-[(2-propan-2-yl-1,3-benzothiazol-6-yl)amino]acetyl]amino]benzamide
SMILESCC(C)c1nc2ccc(NCC(=O)Nc3cccc(C(=O)N(C)C)c3)cc2s1
InChIInChI=1S/C21H24N4O2S/c1-13(2)20-24-17-9-8-15(11-18(17)28-20)22-12-19(26)23-16-7-5-6-14(10-16)21(27)25(3)4/h5-11,13,22H,12H2,1-4H3,(H,23,26)
InChIKeyCVKAYISDEMGQPV-UHFFFAOYSA-N
XLogP4.17
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N,N-dimethyl-3-[[2-[(2-propan-2-yl-1,3-benzothiazol-6-yl)amino]acetyl]amino]benzamide with MolForge

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Related Compounds

3-[[2-(3-chloro-4-methylanilino)acetyl]amino]-N,N-dimethylbenzamide
CID 54816056
N,N-dimethyl-3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]benzamide
CID 54840880
3-[[2-(3-chloro-4-fluoroanilino)acetyl]amino]-N,N-dimethylbenzamide
CID 29454051
3-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 31418295
3-[[2-[4-(dimethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54840717
3-[[2-(3,5-difluoroanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 37275657
3-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-dimethylbenzamide
CID 32908676
3-[[2-(3-ethoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 54840596
3-[[2-[4-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 54840700
N,N-dimethyl-3-[[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]amino]benzamide
CID 54840725
N-butan-2-yl-3-[[2-[4-(dimethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54840688
3-[[2-[3-(difluoromethoxy)-4-methoxyanilino]acetyl]amino]-N,N-dimethylbenzamide
CID 55565701

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[2-[(2-propan-2-yl-1,3-benzothiazol-6-yl)amino]acetyl]amino]benzamide?
The IUPAC name of N,N-dimethyl-3-[[2-[(2-propan-2-yl-1,3-benzothiazol-6-yl)amino]acetyl]amino]benzamide (CID 60593198) is N,N-dimethyl-3-[[2-[(2-propan-2-yl-1,3-benzothiazol-6-yl)amino]acetyl]amino]benzamide.
What is the SMILES notation for N,N-dimethyl-3-[[2-[(2-propan-2-yl-1,3-benzothiazol-6-yl)amino]acetyl]amino]benzamide?
The canonical SMILES for N,N-dimethyl-3-[[2-[(2-propan-2-yl-1,3-benzothiazol-6-yl)amino]acetyl]amino]benzamide is CC(C)c1nc2ccc(NCC(=O)Nc3cccc(C(=O)N(C)C)c3)cc2s1.
What is the InChIKey of N,N-dimethyl-3-[[2-[(2-propan-2-yl-1,3-benzothiazol-6-yl)amino]acetyl]amino]benzamide?
The InChIKey is CVKAYISDEMGQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S/c1-13(2)20-24-17-9-8-15(11-18(17)28-20)22-12-19(26)23-16-7-5-6-14(10-16)21(27)25(3)4/h5-11,13,22H,12H2,1-4H3,(H,23,26).
What are the key properties of N,N-dimethyl-3-[[2-[(2-propan-2-yl-1,3-benzothiazol-6-yl)amino]acetyl]amino]benzamide?
N,N-dimethyl-3-[[2-[(2-propan-2-yl-1,3-benzothiazol-6-yl)amino]acetyl]amino]benzamide has a molecular weight of 396.52 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[2-[(2-propan-2-yl-1,3-benzothiazol-6-yl)amino]acetyl]amino]benzamide is sourced from PubChem (CID 60593198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).