3,5-dimethyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]pyrazolidine-4-sulfonamide

C24H28N4O4S2 — CID 91754824

IUPAC3,5-dimethyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]pyrazolidine-4-sulfonamide
SMILESCC1NNC(C)C1S(=O)(=O)NCc1cnc(Oc2ccc3c(c2)CCC(c2ccccc2)O3)s1
InChIInChI=1S/C24H28N4O4S2/c1-15-23(16(2)28-27-15)34(29,30)26-14-20-13-25-24(33-20)31-19-9-11-22-18(12-19)8-10-21(32-22)17-6-4-3-5-7-17/h3-7,9,11-13,15-16,21,23,26-28H,8,10,14H2,1-2H3
InChIKeyOAZUMYSCKGWENO-UHFFFAOYSA-N
MW500.65 g/mol
LogP3.67
Rot. Bonds7

About 3,5-dimethyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]pyrazolidine-4-sulfonamide

3,5-dimethyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]pyrazolidine-4-sulfonamide (PubChem CID 91754824) has the molecular formula C24H28N4O4S2 and a molecular weight of 500.65 g/mol. Its IUPAC name is 3,5-dimethyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]pyrazolidine-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]pyrazolidine-4-sulfonamide
PubChem CID91754824
Molecular FormulaC24H28N4O4S2
Molecular Weight500.65 g/mol
Exact Mass500.16
IUPAC Name3,5-dimethyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]pyrazolidine-4-sulfonamide
SMILESCC1NNC(C)C1S(=O)(=O)NCc1cnc(Oc2ccc3c(c2)CCC(c2ccccc2)O3)s1
InChIInChI=1S/C24H28N4O4S2/c1-15-23(16(2)28-27-15)34(29,30)26-14-20-13-25-24(33-20)31-19-9-11-22-18(12-19)8-10-21(32-22)17-6-4-3-5-7-17/h3-7,9,11-13,15-16,21,23,26-28H,8,10,14H2,1-2H3
InChIKeyOAZUMYSCKGWENO-UHFFFAOYSA-N
XLogP3.67
TPSA101.58 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.65
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]pyrazolidine-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]pyrazolidine-4-sulfonamide (CID 91754824) is 3,5-dimethyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]pyrazolidine-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]pyrazolidine-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]pyrazolidine-4-sulfonamide is CC1NNC(C)C1S(=O)(=O)NCc1cnc(Oc2ccc3c(c2)CCC(c2ccccc2)O3)s1.
What is the InChIKey of 3,5-dimethyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]pyrazolidine-4-sulfonamide?
The InChIKey is OAZUMYSCKGWENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4S2/c1-15-23(16(2)28-27-15)34(29,30)26-14-20-13-25-24(33-20)31-19-9-11-22-18(12-19)8-10-21(32-22)17-6-4-3-5-7-17/h3-7,9,11-13,15-16,21,23,26-28H,8,10,14H2,1-2H3.
What are the key properties of 3,5-dimethyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]pyrazolidine-4-sulfonamide?
3,5-dimethyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]pyrazolidine-4-sulfonamide has a molecular weight of 500.65 g/mol, XLogP of 3.67, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]pyrazolidine-4-sulfonamide is sourced from PubChem (CID 91754824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).