N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide

C20H23N3O3S — CID 40820600

IUPACN-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
SMILESO=C(C[C@@H]1Sc2ccccc2NC1=O)NC[C@@H](c1ccco1)N1CCCC1
InChIInChI=1S/C20H23N3O3S/c24-19(12-18-20(25)22-14-6-1-2-8-17(14)27-18)21-13-15(16-7-5-11-26-16)23-9-3-4-10-23/h1-2,5-8,11,15,18H,3-4,9-10,12-13H2,(H,21,24)(H,22,25)/t15-,18-/m0/s1
InChIKeyHKTDSCAIXANXNJ-YJBOKZPZSA-N
MW385.49 g/mol
LogP3.04
Rot. Bonds6

About N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide

N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide (PubChem CID 40820600) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
PubChem CID40820600
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC NameN-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
SMILESO=C(C[C@@H]1Sc2ccccc2NC1=O)NC[C@@H](c1ccco1)N1CCCC1
InChIInChI=1S/C20H23N3O3S/c24-19(12-18-20(25)22-14-6-1-2-8-17(14)27-18)21-13-15(16-7-5-11-26-16)23-9-3-4-10-23/h1-2,5-8,11,15,18H,3-4,9-10,12-13H2,(H,21,24)(H,22,25)/t15-,18-/m0/s1
InChIKeyHKTDSCAIXANXNJ-YJBOKZPZSA-N
XLogP3.04
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-(furan-2-yl)ethyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 9481930
N-(2-methyl-3-piperidin-1-ylpropyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 55948234
2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-piperidin-1-ylacetamide
CID 9271504
2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 46493569
N-(4-methyl-2-morpholin-4-ylpentyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 55547756
N-ethyl-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 729474
N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 42016181
2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[(2R)-2-phenylbutyl]acetamide
CID 25397114
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 93157841
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 60636600
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]adamantane-1-carboxamide
CID 4880413
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]cyclopropanecarboxamide
CID 7780302

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide?
The IUPAC name of N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide (CID 40820600) is N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide?
The canonical SMILES for N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide is O=C(C[C@@H]1Sc2ccccc2NC1=O)NC[C@@H](c1ccco1)N1CCCC1.
What is the InChIKey of N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide?
The InChIKey is HKTDSCAIXANXNJ-YJBOKZPZSA-N. The full InChI is InChI=1S/C20H23N3O3S/c24-19(12-18-20(25)22-14-6-1-2-8-17(14)27-18)21-13-15(16-7-5-11-26-16)23-9-3-4-10-23/h1-2,5-8,11,15,18H,3-4,9-10,12-13H2,(H,21,24)(H,22,25)/t15-,18-/m0/s1.
What are the key properties of N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide?
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide has a molecular weight of 385.49 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide is sourced from PubChem (CID 40820600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).