N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide

C23H31N3O4S — CID 24646474

IUPACN-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
SMILESCCN(CC)C(CNC(=O)c1ccc(N2CCCS2(=O)=O)cc1)c1cccc(OC)c1
InChIInChI=1S/C23H31N3O4S/c1-4-25(5-2)22(19-8-6-9-21(16-19)30-3)17-24-23(27)18-10-12-20(13-11-18)26-14-7-15-31(26,28)29/h6,8-13,16,22H,4-5,7,14-15,17H2,1-3H3,(H,24,27)
InChIKeyZNJVTJAHEPHXDX-UHFFFAOYSA-N
MW445.59 g/mol
LogP3.05
Rot. Bonds9

About N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide

N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide (PubChem CID 24646474) has the molecular formula C23H31N3O4S and a molecular weight of 445.59 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
PubChem CID24646474
Molecular FormulaC23H31N3O4S
Molecular Weight445.59 g/mol
Exact Mass445.20
IUPAC NameN-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
SMILESCCN(CC)C(CNC(=O)c1ccc(N2CCCS2(=O)=O)cc1)c1cccc(OC)c1
InChIInChI=1S/C23H31N3O4S/c1-4-25(5-2)22(19-8-6-9-21(16-19)30-3)17-24-23(27)18-10-12-20(13-11-18)26-14-7-15-31(26,28)29/h6,8-13,16,22H,4-5,7,14-15,17H2,1-3H3,(H,24,27)
InChIKeyZNJVTJAHEPHXDX-UHFFFAOYSA-N
XLogP3.05
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.59
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 40860018
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 51283227
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3,4-dimethoxybenzamide
CID 51283235
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3,4-difluorobenzamide
CID 46545764
N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 51647787
3-amino-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]benzamide
CID 119837714
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethylbenzamide
CID 51246187
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]propanamide
CID 134032738
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-(pyridin-4-ylmethoxy)benzamide
CID 43054752
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide
CID 56516620
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 24547721
4-chloro-N-[(2S)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-(diethylsulfamoyl)benzamide
CID 25496834

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The IUPAC name of N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide (CID 24646474) is N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide.
What is the SMILES notation for N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The canonical SMILES for N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide is CCN(CC)C(CNC(=O)c1ccc(N2CCCS2(=O)=O)cc1)c1cccc(OC)c1.
What is the InChIKey of N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The InChIKey is ZNJVTJAHEPHXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4S/c1-4-25(5-2)22(19-8-6-9-21(16-19)30-3)17-24-23(27)18-10-12-20(13-11-18)26-14-7-15-31(26,28)29/h6,8-13,16,22H,4-5,7,14-15,17H2,1-3H3,(H,24,27).
What are the key properties of N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide has a molecular weight of 445.59 g/mol, XLogP of 3.05, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 24646474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).