N-[3-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-3-oxo-1-thiophen-2-ylpropyl]acetamide

C17H17ClN2O2S2 — CID 47024797

IUPACN-[3-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-3-oxo-1-thiophen-2-ylpropyl]acetamide
SMILESCC(=O)NC(CC(=O)N1CCSc2ccc(Cl)cc21)c1cccs1
InChIInChI=1S/C17H17ClN2O2S2/c1-11(21)19-13(15-3-2-7-23-15)10-17(22)20-6-8-24-16-5-4-12(18)9-14(16)20/h2-5,7,9,13H,6,8,10H2,1H3,(H,19,21)
InChIKeyWAPLCIZIBXWVHR-UHFFFAOYSA-N
MW380.92 g/mol
LogP4.11
Rot. Bonds4

About N-[3-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-3-oxo-1-thiophen-2-ylpropyl]acetamide

N-[3-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-3-oxo-1-thiophen-2-ylpropyl]acetamide (PubChem CID 47024797) has the molecular formula C17H17ClN2O2S2 and a molecular weight of 380.92 g/mol. Its IUPAC name is N-[3-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-3-oxo-1-thiophen-2-ylpropyl]acetamide.

Molecular Properties

Compound NameN-[3-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-3-oxo-1-thiophen-2-ylpropyl]acetamide
PubChem CID47024797
Molecular FormulaC17H17ClN2O2S2
Molecular Weight380.92 g/mol
Exact Mass380.04
IUPAC NameN-[3-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-3-oxo-1-thiophen-2-ylpropyl]acetamide
SMILESCC(=O)NC(CC(=O)N1CCSc2ccc(Cl)cc21)c1cccs1
InChIInChI=1S/C17H17ClN2O2S2/c1-11(21)19-13(15-3-2-7-23-15)10-17(22)20-6-8-24-16-5-4-12(18)9-14(16)20/h2-5,7,9,13H,6,8,10H2,1H3,(H,19,21)
InChIKeyWAPLCIZIBXWVHR-UHFFFAOYSA-N
XLogP4.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.92
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-3-oxo-1-phenylpropyl]acetamide
CID 55589826
N-[3-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-3-oxo-1-thiophen-2-ylpropyl]acetamide
CID 47029823
N-[2-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]-N-methylthiophene-2-sulfonamide
CID 55589821
N-[(1R)-3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-3-oxo-1-thiophen-2-ylpropyl]acetamide
CID 94820255
N-[3-[2-(3-chlorophenyl)piperazin-1-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide
CID 120802620
N-(3-morpholin-4-yl-3-oxo-1-thiophen-2-ylpropyl)acetamide
CID 47017273
3-acetamido-N-(4-chlorophenyl)-3-thiophen-2-ylpropanamide
CID 46697558
3-acetamido-N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-thiophen-2-ylpropanamide
CID 55727099
(3R)-3-acetamido-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-thiophen-2-ylpropanamide
CID 41358102
N-[(1S)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide
CID 94017783
N-[3-oxo-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1-thiophen-2-ylpropyl]acetamide
CID 46575997
3-acetamido-N-cyano-3-thiophen-2-ylpropanamide
CID 79193756

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-3-oxo-1-thiophen-2-ylpropyl]acetamide?
The IUPAC name of N-[3-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-3-oxo-1-thiophen-2-ylpropyl]acetamide (CID 47024797) is N-[3-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-3-oxo-1-thiophen-2-ylpropyl]acetamide.
What is the SMILES notation for N-[3-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-3-oxo-1-thiophen-2-ylpropyl]acetamide?
The canonical SMILES for N-[3-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-3-oxo-1-thiophen-2-ylpropyl]acetamide is CC(=O)NC(CC(=O)N1CCSc2ccc(Cl)cc21)c1cccs1.
What is the InChIKey of N-[3-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-3-oxo-1-thiophen-2-ylpropyl]acetamide?
The InChIKey is WAPLCIZIBXWVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2S2/c1-11(21)19-13(15-3-2-7-23-15)10-17(22)20-6-8-24-16-5-4-12(18)9-14(16)20/h2-5,7,9,13H,6,8,10H2,1H3,(H,19,21).
What are the key properties of N-[3-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-3-oxo-1-thiophen-2-ylpropyl]acetamide?
N-[3-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-3-oxo-1-thiophen-2-ylpropyl]acetamide has a molecular weight of 380.92 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-3-oxo-1-thiophen-2-ylpropyl]acetamide is sourced from PubChem (CID 47024797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).