N-(3,4-dihydro-2H-chromen-4-yl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide

C22H26N2O5S — CID 43058773

IUPACN-(3,4-dihydro-2H-chromen-4-yl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
SMILESCCc1ccc(C(=O)NC2CCOc3ccccc32)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C22H26N2O5S/c1-2-16-7-8-17(15-21(16)30(26,27)24-10-13-28-14-11-24)22(25)23-19-9-12-29-20-6-4-3-5-18(19)20/h3-8,15,19H,2,9-14H2,1H3,(H,23,25)
InChIKeyHORJSWKWXILCQZ-UHFFFAOYSA-N
MW430.53 g/mol
LogP2.52
Rot. Bonds5

About N-(3,4-dihydro-2H-chromen-4-yl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide

N-(3,4-dihydro-2H-chromen-4-yl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 43058773) has the molecular formula C22H26N2O5S and a molecular weight of 430.53 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-yl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-yl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
PubChem CID43058773
Molecular FormulaC22H26N2O5S
Molecular Weight430.53 g/mol
Exact Mass430.16
IUPAC NameN-(3,4-dihydro-2H-chromen-4-yl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
SMILESCCc1ccc(C(=O)NC2CCOc3ccccc32)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C22H26N2O5S/c1-2-16-7-8-17(15-21(16)30(26,27)24-10-13-28-14-11-24)22(25)23-19-9-12-29-20-6-4-3-5-18(19)20/h3-8,15,19H,2,9-14H2,1H3,(H,23,25)
InChIKeyHORJSWKWXILCQZ-UHFFFAOYSA-N
XLogP2.52
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dihydro-2H-chromen-4-yl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 17445598
4-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylsulfonylbenzamide
CID 18193131
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-4-methyl-3-sulfamoylbenzamide
CID 9091692
N-butan-2-yl-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 46584081
3-[(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)amino]butanoic acid
CID 119221567
N-(3,4-dihydro-2H-chromen-4-yl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 16561402
N-(2-amino-2-methylpropyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 119626593
(4-ethyl-3-morpholin-4-ylsulfonylphenyl)-morpholin-4-ylmethanone
CID 43058655
4-ethyl-3-morpholin-4-ylsulfonyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119510642
N-(1,3-benzodioxol-5-ylmethyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 30836100
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 43058620
3-[(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)amino]-2,2-dimethylpropanoic acid
CID 119250337

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide (CID 43058773) is N-(3,4-dihydro-2H-chromen-4-yl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-yl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-yl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide is CCc1ccc(C(=O)NC2CCOc3ccccc32)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-yl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is HORJSWKWXILCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5S/c1-2-16-7-8-17(15-21(16)30(26,27)24-10-13-28-14-11-24)22(25)23-19-9-12-29-20-6-4-3-5-18(19)20/h3-8,15,19H,2,9-14H2,1H3,(H,23,25).
What are the key properties of N-(3,4-dihydro-2H-chromen-4-yl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide?
N-(3,4-dihydro-2H-chromen-4-yl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 430.53 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-4-yl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 43058773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).