N-[2-[di(propan-2-yl)amino]-4-oxo-1,3-benzothiazin-6-yl]-3-phenylpropanamide

C23H27N3O2S — CID 42694992

IUPACN-[2-[di(propan-2-yl)amino]-4-oxo-1,3-benzothiazin-6-yl]-3-phenylpropanamide
SMILESCC(C)N(c1nc(=O)c2cc(NC(=O)CCc3ccccc3)ccc2s1)C(C)C
InChIInChI=1S/C23H27N3O2S/c1-15(2)26(16(3)4)23-25-22(28)19-14-18(11-12-20(19)29-23)24-21(27)13-10-17-8-6-5-7-9-17/h5-9,11-12,14-16H,10,13H2,1-4H3,(H,24,27)
InChIKeyRZWHUOQXOOHGHR-UHFFFAOYSA-N
MW409.56 g/mol
LogP4.85
Rot. Bonds7

About N-[2-[di(propan-2-yl)amino]-4-oxo-1,3-benzothiazin-6-yl]-3-phenylpropanamide

N-[2-[di(propan-2-yl)amino]-4-oxo-1,3-benzothiazin-6-yl]-3-phenylpropanamide (PubChem CID 42694992) has the molecular formula C23H27N3O2S and a molecular weight of 409.56 g/mol. Its IUPAC name is N-[2-[di(propan-2-yl)amino]-4-oxo-1,3-benzothiazin-6-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-[di(propan-2-yl)amino]-4-oxo-1,3-benzothiazin-6-yl]-3-phenylpropanamide
PubChem CID42694992
Molecular FormulaC23H27N3O2S
Molecular Weight409.56 g/mol
Exact Mass409.18
IUPAC NameN-[2-[di(propan-2-yl)amino]-4-oxo-1,3-benzothiazin-6-yl]-3-phenylpropanamide
SMILESCC(C)N(c1nc(=O)c2cc(NC(=O)CCc3ccccc3)ccc2s1)C(C)C
InChIInChI=1S/C23H27N3O2S/c1-15(2)26(16(3)4)23-25-22(28)19-14-18(11-12-20(19)29-23)24-21(27)13-10-17-8-6-5-7-9-17/h5-9,11-12,14-16H,10,13H2,1-4H3,(H,24,27)
InChIKeyRZWHUOQXOOHGHR-UHFFFAOYSA-N
XLogP4.85
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.56
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-5-yl)-3-phenylpropanamide
CID 18585528
3-phenyl-N-(4-propan-2-ylphenyl)propanamide
CID 819687
3-phenyl-N-(3-propan-2-ylphenyl)propanamide
CID 112765575
N-isoquinolin-6-yl-3-phenylpropanamide
CID 24999503
N-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)-3-phenylpropanamide
CID 50797257
N-(4-methylphenyl)-3-phenylpropanamide
CID 778861
N,N'-bis[4-(3-phenylpropanoylamino)phenyl]pentanediamide
CID 17233797
N-[4-(dimethylamino)phenyl]-3-phenylpropanamide
CID 874810
N-(3-fluoro-4-methylphenyl)-3-phenylpropanamide
CID 668304
N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]-3-phenylpropanamide
CID 42643106
N-(4-hydroxyphenyl)-3-phenylpropanamide
CID 836055
3-phenyl-N-[4-(phenylcarbamoylamino)phenyl]propanamide
CID 17233492

Frequently Asked Questions

What is the IUPAC name of N-[2-[di(propan-2-yl)amino]-4-oxo-1,3-benzothiazin-6-yl]-3-phenylpropanamide?
The IUPAC name of N-[2-[di(propan-2-yl)amino]-4-oxo-1,3-benzothiazin-6-yl]-3-phenylpropanamide (CID 42694992) is N-[2-[di(propan-2-yl)amino]-4-oxo-1,3-benzothiazin-6-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[2-[di(propan-2-yl)amino]-4-oxo-1,3-benzothiazin-6-yl]-3-phenylpropanamide?
The canonical SMILES for N-[2-[di(propan-2-yl)amino]-4-oxo-1,3-benzothiazin-6-yl]-3-phenylpropanamide is CC(C)N(c1nc(=O)c2cc(NC(=O)CCc3ccccc3)ccc2s1)C(C)C.
What is the InChIKey of N-[2-[di(propan-2-yl)amino]-4-oxo-1,3-benzothiazin-6-yl]-3-phenylpropanamide?
The InChIKey is RZWHUOQXOOHGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2S/c1-15(2)26(16(3)4)23-25-22(28)19-14-18(11-12-20(19)29-23)24-21(27)13-10-17-8-6-5-7-9-17/h5-9,11-12,14-16H,10,13H2,1-4H3,(H,24,27).
What are the key properties of N-[2-[di(propan-2-yl)amino]-4-oxo-1,3-benzothiazin-6-yl]-3-phenylpropanamide?
N-[2-[di(propan-2-yl)amino]-4-oxo-1,3-benzothiazin-6-yl]-3-phenylpropanamide has a molecular weight of 409.56 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[di(propan-2-yl)amino]-4-oxo-1,3-benzothiazin-6-yl]-3-phenylpropanamide is sourced from PubChem (CID 42694992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).