N-[3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-3-methoxybenzamide

C20H21N3O4S — CID 17226248

IUPACN-[3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-3-methoxybenzamide
SMILESCCOc1ccc2nc(NC(=O)CCNC(=O)c3cccc(OC)c3)sc2c1
InChIInChI=1S/C20H21N3O4S/c1-3-27-15-7-8-16-17(12-15)28-20(22-16)23-18(24)9-10-21-19(25)13-5-4-6-14(11-13)26-2/h4-8,11-12H,3,9-10H2,1-2H3,(H,21,25)(H,22,23,24)
InChIKeyDTNVUPVEQZQISG-UHFFFAOYSA-N
MW399.47 g/mol
LogP3.46
Rot. Bonds8

About N-[3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-3-methoxybenzamide

N-[3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-3-methoxybenzamide (PubChem CID 17226248) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is N-[3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-3-methoxybenzamide
PubChem CID17226248
Molecular FormulaC20H21N3O4S
Molecular Weight399.47 g/mol
Exact Mass399.13
IUPAC NameN-[3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-3-methoxybenzamide
SMILESCCOc1ccc2nc(NC(=O)CCNC(=O)c3cccc(OC)c3)sc2c1
InChIInChI=1S/C20H21N3O4S/c1-3-27-15-7-8-16-17(12-15)28-20(22-16)23-18(24)9-10-21-19(25)13-5-4-6-14(11-13)26-2/h4-8,11-12H,3,9-10H2,1-2H3,(H,21,25)(H,22,23,24)
InChIKeyDTNVUPVEQZQISG-UHFFFAOYSA-N
XLogP3.46
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-3-methoxybenzamide with MolForge

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Related Compounds

N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(3-methoxyphenyl)propanamide
CID 46665605
N-[3-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]thiophene-2-carboxamide
CID 46809326
3-(4-ethoxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 19226041
ethyl 2-[3-[(3-methoxybenzoyl)amino]propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 17226273
methyl 4-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-4-oxobutanoate
CID 108747758
3-(3,5-dimethoxyphenyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide
CID 26707945
N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(propan-2-ylamino)propanamide
CID 60852509
2-(4-ethoxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 8719441
5-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)pentanamide
CID 107907240
3-(cyclopropylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide
CID 60842453
N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 718596
6-acetamido-N-(6-ethoxy-1,3-benzothiazol-2-yl)hexanamide
CID 78799553

Frequently Asked Questions

What is the IUPAC name of N-[3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-3-methoxybenzamide?
The IUPAC name of N-[3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-3-methoxybenzamide (CID 17226248) is N-[3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-3-methoxybenzamide.
What is the SMILES notation for N-[3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-3-methoxybenzamide?
The canonical SMILES for N-[3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-3-methoxybenzamide is CCOc1ccc2nc(NC(=O)CCNC(=O)c3cccc(OC)c3)sc2c1.
What is the InChIKey of N-[3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-3-methoxybenzamide?
The InChIKey is DTNVUPVEQZQISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S/c1-3-27-15-7-8-16-17(12-15)28-20(22-16)23-18(24)9-10-21-19(25)13-5-4-6-14(11-13)26-2/h4-8,11-12H,3,9-10H2,1-2H3,(H,21,25)(H,22,23,24).
What are the key properties of N-[3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-3-methoxybenzamide?
N-[3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-3-methoxybenzamide has a molecular weight of 399.47 g/mol, XLogP of 3.46, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-3-methoxybenzamide is sourced from PubChem (CID 17226248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).