N-cyclopropylsulfonyl-2-[(3S,4R)-4-hydroxy-3-(pyridin-2-ylmethyl)-3,4-dihydro-2H-chromen-7-yl]benzamide

C25H24N2O5S — CID 129208192

IUPACN-cyclopropylsulfonyl-2-[(3S,4R)-4-hydroxy-3-(pyridin-2-ylmethyl)-3,4-dihydro-2H-chromen-7-yl]benzamide
SMILESO=C(NS(=O)(=O)C1CC1)c1ccccc1-c1ccc2c(c1)OC[C@H](Cc1ccccn1)[C@H]2O
InChIInChI=1S/C25H24N2O5S/c28-24-17(13-18-5-3-4-12-26-18)15-32-23-14-16(8-11-22(23)24)20-6-1-2-7-21(20)25(29)27-33(30,31)19-9-10-19/h1-8,11-12,14,17,19,24,28H,9-10,13,15H2,(H,27,29)/t17-,24+/m0/s1
InChIKeyDMRIHMFYWRGVFD-BXKMTCNYSA-N
MW464.54 g/mol
LogP3.26
Rot. Bonds6

About N-cyclopropylsulfonyl-2-[(3S,4R)-4-hydroxy-3-(pyridin-2-ylmethyl)-3,4-dihydro-2H-chromen-7-yl]benzamide

N-cyclopropylsulfonyl-2-[(3S,4R)-4-hydroxy-3-(pyridin-2-ylmethyl)-3,4-dihydro-2H-chromen-7-yl]benzamide (PubChem CID 129208192) has the molecular formula C25H24N2O5S and a molecular weight of 464.54 g/mol. Its IUPAC name is N-cyclopropylsulfonyl-2-[(3S,4R)-4-hydroxy-3-(pyridin-2-ylmethyl)-3,4-dihydro-2H-chromen-7-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropylsulfonyl-2-[(3S,4R)-4-hydroxy-3-(pyridin-2-ylmethyl)-3,4-dihydro-2H-chromen-7-yl]benzamide
PubChem CID129208192
Molecular FormulaC25H24N2O5S
Molecular Weight464.54 g/mol
Exact Mass464.14
IUPAC NameN-cyclopropylsulfonyl-2-[(3S,4R)-4-hydroxy-3-(pyridin-2-ylmethyl)-3,4-dihydro-2H-chromen-7-yl]benzamide
SMILESO=C(NS(=O)(=O)C1CC1)c1ccccc1-c1ccc2c(c1)OC[C@H](Cc1ccccn1)[C@H]2O
InChIInChI=1S/C25H24N2O5S/c28-24-17(13-18-5-3-4-12-26-18)15-32-23-14-16(8-11-22(23)24)20-6-1-2-7-21(20)25(29)27-33(30,31)19-9-10-19/h1-8,11-12,14,17,19,24,28H,9-10,13,15H2,(H,27,29)/t17-,24+/m0/s1
InChIKeyDMRIHMFYWRGVFD-BXKMTCNYSA-N
XLogP3.26
TPSA105.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.54
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-cyclopropylsulfonyl-2-[(3S,4R)-4-hydroxy-3-(pyridin-2-ylmethyl)-3,4-dihydro-2H-chromen-7-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopropylsulfonyl-2-[(3S,4R)-4-hydroxy-3-(pyridin-2-ylmethyl)-3,4-dihydro-2H-chromen-7-yl]benzamide?
The IUPAC name of N-cyclopropylsulfonyl-2-[(3S,4R)-4-hydroxy-3-(pyridin-2-ylmethyl)-3,4-dihydro-2H-chromen-7-yl]benzamide (CID 129208192) is N-cyclopropylsulfonyl-2-[(3S,4R)-4-hydroxy-3-(pyridin-2-ylmethyl)-3,4-dihydro-2H-chromen-7-yl]benzamide.
What is the SMILES notation for N-cyclopropylsulfonyl-2-[(3S,4R)-4-hydroxy-3-(pyridin-2-ylmethyl)-3,4-dihydro-2H-chromen-7-yl]benzamide?
The canonical SMILES for N-cyclopropylsulfonyl-2-[(3S,4R)-4-hydroxy-3-(pyridin-2-ylmethyl)-3,4-dihydro-2H-chromen-7-yl]benzamide is O=C(NS(=O)(=O)C1CC1)c1ccccc1-c1ccc2c(c1)OC[C@H](Cc1ccccn1)[C@H]2O.
What is the InChIKey of N-cyclopropylsulfonyl-2-[(3S,4R)-4-hydroxy-3-(pyridin-2-ylmethyl)-3,4-dihydro-2H-chromen-7-yl]benzamide?
The InChIKey is DMRIHMFYWRGVFD-BXKMTCNYSA-N. The full InChI is InChI=1S/C25H24N2O5S/c28-24-17(13-18-5-3-4-12-26-18)15-32-23-14-16(8-11-22(23)24)20-6-1-2-7-21(20)25(29)27-33(30,31)19-9-10-19/h1-8,11-12,14,17,19,24,28H,9-10,13,15H2,(H,27,29)/t17-,24+/m0/s1.
What are the key properties of N-cyclopropylsulfonyl-2-[(3S,4R)-4-hydroxy-3-(pyridin-2-ylmethyl)-3,4-dihydro-2H-chromen-7-yl]benzamide?
N-cyclopropylsulfonyl-2-[(3S,4R)-4-hydroxy-3-(pyridin-2-ylmethyl)-3,4-dihydro-2H-chromen-7-yl]benzamide has a molecular weight of 464.54 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropylsulfonyl-2-[(3S,4R)-4-hydroxy-3-(pyridin-2-ylmethyl)-3,4-dihydro-2H-chromen-7-yl]benzamide is sourced from PubChem (CID 129208192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).