N-(2-acetamido-1,3-benzothiazol-6-yl)-3-methoxy-4-propan-2-yloxybenzamide

C20H21N3O4S — CID 55768753

IUPACN-(2-acetamido-1,3-benzothiazol-6-yl)-3-methoxy-4-propan-2-yloxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc3nc(NC(C)=O)sc3c2)ccc1OC(C)C
InChIInChI=1S/C20H21N3O4S/c1-11(2)27-16-8-5-13(9-17(16)26-4)19(25)22-14-6-7-15-18(10-14)28-20(23-15)21-12(3)24/h5-11H,1-4H3,(H,22,25)(H,21,23,24)
InChIKeyDLNHHXYHSCFCMR-UHFFFAOYSA-N
MW399.47 g/mol
LogP4.30
Rot. Bonds6

About N-(2-acetamido-1,3-benzothiazol-6-yl)-3-methoxy-4-propan-2-yloxybenzamide

N-(2-acetamido-1,3-benzothiazol-6-yl)-3-methoxy-4-propan-2-yloxybenzamide (PubChem CID 55768753) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is N-(2-acetamido-1,3-benzothiazol-6-yl)-3-methoxy-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-(2-acetamido-1,3-benzothiazol-6-yl)-3-methoxy-4-propan-2-yloxybenzamide
PubChem CID55768753
Molecular FormulaC20H21N3O4S
Molecular Weight399.47 g/mol
Exact Mass399.13
IUPAC NameN-(2-acetamido-1,3-benzothiazol-6-yl)-3-methoxy-4-propan-2-yloxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc3nc(NC(C)=O)sc3c2)ccc1OC(C)C
InChIInChI=1S/C20H21N3O4S/c1-11(2)27-16-8-5-13(9-17(16)26-4)19(25)22-14-6-7-15-18(10-14)28-20(23-15)21-12(3)24/h5-11H,1-4H3,(H,22,25)(H,21,23,24)
InChIKeyDLNHHXYHSCFCMR-UHFFFAOYSA-N
XLogP4.30
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[(3,4-dimethoxybenzoyl)amino]-1,3-benzothiazol-6-yl]-3,4-dimethoxybenzamide
CID 17273906
N-(2-acetamido-1,3-benzothiazol-6-yl)-3,4,5-trimethoxybenzamide
CID 1120822
3,4,5-trimethoxy-N-[2-[(3,4,5-trimethoxybenzoyl)amino]-1,3-benzothiazol-6-yl]benzamide
CID 5213672
N-(6-acetamido-1,3-benzothiazol-2-yl)-4-methoxy-3-nitrobenzamide
CID 5239584
N-(3,4-dichlorophenyl)-3-methoxy-4-propan-2-yloxybenzamide
CID 2223889
methyl 2-[(3,4-dimethoxybenzoyl)amino]-1,3-benzothiazole-6-carboxylate
CID 4250162
N-(6-fluoro-1,3-benzothiazol-2-yl)-3,4-dimethoxybenzamide
CID 2996365
N-(6-acetamido-1,3-benzothiazol-2-yl)-3,4-dimethylbenzamide
CID 952086
N-(2-acetamido-1,3-benzothiazol-5-yl)-3,4,5-trimethoxybenzamide
CID 5075468
N-(1,3-benzothiazol-2-yl)-4-(difluoromethoxy)-3-methoxybenzamide
CID 2676970
N-[2-[(3,5-dimethoxybenzoyl)amino]-1,3-benzothiazol-6-yl]-3,5-dimethoxybenzamide
CID 2332353
4-(difluoromethoxy)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methoxybenzamide
CID 8882972

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamido-1,3-benzothiazol-6-yl)-3-methoxy-4-propan-2-yloxybenzamide?
The IUPAC name of N-(2-acetamido-1,3-benzothiazol-6-yl)-3-methoxy-4-propan-2-yloxybenzamide (CID 55768753) is N-(2-acetamido-1,3-benzothiazol-6-yl)-3-methoxy-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-(2-acetamido-1,3-benzothiazol-6-yl)-3-methoxy-4-propan-2-yloxybenzamide?
The canonical SMILES for N-(2-acetamido-1,3-benzothiazol-6-yl)-3-methoxy-4-propan-2-yloxybenzamide is COc1cc(C(=O)Nc2ccc3nc(NC(C)=O)sc3c2)ccc1OC(C)C.
What is the InChIKey of N-(2-acetamido-1,3-benzothiazol-6-yl)-3-methoxy-4-propan-2-yloxybenzamide?
The InChIKey is DLNHHXYHSCFCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S/c1-11(2)27-16-8-5-13(9-17(16)26-4)19(25)22-14-6-7-15-18(10-14)28-20(23-15)21-12(3)24/h5-11H,1-4H3,(H,22,25)(H,21,23,24).
What are the key properties of N-(2-acetamido-1,3-benzothiazol-6-yl)-3-methoxy-4-propan-2-yloxybenzamide?
N-(2-acetamido-1,3-benzothiazol-6-yl)-3-methoxy-4-propan-2-yloxybenzamide has a molecular weight of 399.47 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamido-1,3-benzothiazol-6-yl)-3-methoxy-4-propan-2-yloxybenzamide is sourced from PubChem (CID 55768753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).