N-(3,4-dihydro-2H-chromen-4-yl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide

C22H26N2O4S — CID 17445598

IUPACN-(3,4-dihydro-2H-chromen-4-yl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccc(C(=O)NC2CCOc3ccccc32)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C22H26N2O4S/c1-16-9-10-17(15-21(16)29(26,27)24-12-5-2-6-13-24)22(25)23-19-11-14-28-20-8-4-3-7-18(19)20/h3-4,7-10,15,19H,2,5-6,11-14H2,1H3,(H,23,25)
InChIKeyUVNZWEOBKGMOAQ-UHFFFAOYSA-N
MW414.53 g/mol
LogP3.42
Rot. Bonds4

About N-(3,4-dihydro-2H-chromen-4-yl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide

N-(3,4-dihydro-2H-chromen-4-yl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 17445598) has the molecular formula C22H26N2O4S and a molecular weight of 414.53 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-yl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-yl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
PubChem CID17445598
Molecular FormulaC22H26N2O4S
Molecular Weight414.53 g/mol
Exact Mass414.16
IUPAC NameN-(3,4-dihydro-2H-chromen-4-yl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccc(C(=O)NC2CCOc3ccccc32)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C22H26N2O4S/c1-16-9-10-17(15-21(16)29(26,27)24-12-5-2-6-13-24)22(25)23-19-11-14-28-20-8-4-3-7-18(19)20/h3-4,7-10,15,19H,2,5-6,11-14H2,1H3,(H,23,25)
InChIKeyUVNZWEOBKGMOAQ-UHFFFAOYSA-N
XLogP3.42
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-4-methyl-3-sulfamoylbenzamide
CID 9091692
N-(3,4-dihydro-2H-chromen-4-yl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 43058773
3-(azepan-1-ylsulfonyl)-N-cycloheptyl-4-methylbenzamide
CID 9003730
N-cyclohexyl-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 1068516
4-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylsulfonylbenzamide
CID 18193131
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-fluoro-4-methylbenzamide
CID 9091658
3-amino-N-(3,4-dihydro-2H-chromen-4-yl)-4-methylbenzamide
CID 43709554
N-(3,4-dihydro-2H-chromen-4-yl)-3-methoxy-4-methylbenzamide
CID 18115323
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 39958855
4-bromo-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbenzamide
CID 115769510
N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 40635286
N-cyclopropyl-4-methyl-3-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]benzamide
CID 47047657

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide (CID 17445598) is N-(3,4-dihydro-2H-chromen-4-yl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-yl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-yl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide is Cc1ccc(C(=O)NC2CCOc3ccccc32)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-yl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is UVNZWEOBKGMOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4S/c1-16-9-10-17(15-21(16)29(26,27)24-12-5-2-6-13-24)22(25)23-19-11-14-28-20-8-4-3-7-18(19)20/h3-4,7-10,15,19H,2,5-6,11-14H2,1H3,(H,23,25).
What are the key properties of N-(3,4-dihydro-2H-chromen-4-yl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide?
N-(3,4-dihydro-2H-chromen-4-yl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 414.53 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-4-yl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 17445598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).