N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3-phenylpropanamide

C19H22N2O3S — CID 7424224

IUPACN-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1ccc(N2CCCCS2(=O)=O)cc1
InChIInChI=1S/C19H22N2O3S/c22-19(13-8-16-6-2-1-3-7-16)20-17-9-11-18(12-10-17)21-14-4-5-15-25(21,23)24/h1-3,6-7,9-12H,4-5,8,13-15H2,(H,20,22)
InChIKeyBIKCWNSOAUCMAV-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.19
Rot. Bonds5

About N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3-phenylpropanamide

N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3-phenylpropanamide (PubChem CID 7424224) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3-phenylpropanamide
PubChem CID7424224
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC NameN-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1ccc(N2CCCCS2(=O)=O)cc1
InChIInChI=1S/C19H22N2O3S/c22-19(13-8-16-6-2-1-3-7-16)20-17-9-11-18(12-10-17)21-14-4-5-15-25(21,23)24/h1-3,6-7,9-12H,4-5,8,13-15H2,(H,20,22)
InChIKeyBIKCWNSOAUCMAV-UHFFFAOYSA-N
XLogP3.19
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-phenylpropanamide
CID 7627477
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(4-methylphenyl)propanamide
CID 51318715
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-pyridin-3-ylpropanamide
CID 30697500
N'-[4-(1,1-dioxothiazinan-2-yl)phenyl]-N-(2-phenylethyl)oxamide
CID 7584678
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]butanamide
CID 7424208
3-[4-(1,1-dioxothiazinan-2-yl)phenyl]propanoic acid
CID 98039511
N-[3-(1,1-dioxothiazinan-2-yl)phenyl]-3-(4-methylphenyl)propanamide
CID 110303569
benzyl N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]carbamate
CID 7627537
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-3-phenylpropanamide
CID 10110570
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-indol-1-ylacetamide
CID 53367825
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(pyrimidin-2-ylamino)propanamide
CID 71700471
N-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]-3-(4-methylphenyl)propanamide
CID 110303556

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3-phenylpropanamide?
The IUPAC name of N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3-phenylpropanamide (CID 7424224) is N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3-phenylpropanamide.
What is the SMILES notation for N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3-phenylpropanamide?
The canonical SMILES for N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3-phenylpropanamide is O=C(CCc1ccccc1)Nc1ccc(N2CCCCS2(=O)=O)cc1.
What is the InChIKey of N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3-phenylpropanamide?
The InChIKey is BIKCWNSOAUCMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c22-19(13-8-16-6-2-1-3-7-16)20-17-9-11-18(12-10-17)21-14-4-5-15-25(21,23)24/h1-3,6-7,9-12H,4-5,8,13-15H2,(H,20,22).
What are the key properties of N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3-phenylpropanamide?
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3-phenylpropanamide has a molecular weight of 358.46 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3-phenylpropanamide is sourced from PubChem (CID 7424224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).