4-morpholin-4-ylsulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide

C21H24N2O4S — CID 2450785

IUPAC4-morpholin-4-ylsulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
SMILESO=C(N[C@H]1CCCc2ccccc21)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C21H24N2O4S/c24-21(22-20-7-3-5-16-4-1-2-6-19(16)20)17-8-10-18(11-9-17)28(25,26)23-12-14-27-15-13-23/h1-2,4,6,8-11,20H,3,5,7,12-15H2,(H,22,24)/t20-/m0/s1
InChIKeyNELBNQAJOVLRDM-FQEVSTJZSA-N
MW400.50 g/mol
LogP2.51
Rot. Bonds4

About 4-morpholin-4-ylsulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide

4-morpholin-4-ylsulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide (PubChem CID 2450785) has the molecular formula C21H24N2O4S and a molecular weight of 400.50 g/mol. Its IUPAC name is 4-morpholin-4-ylsulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide.

Molecular Properties

Compound Name4-morpholin-4-ylsulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
PubChem CID2450785
Molecular FormulaC21H24N2O4S
Molecular Weight400.50 g/mol
Exact Mass400.15
IUPAC Name4-morpholin-4-ylsulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
SMILESO=C(N[C@H]1CCCc2ccccc21)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C21H24N2O4S/c24-21(22-20-7-3-5-16-4-1-2-6-19(16)20)17-8-10-18(11-9-17)28(25,26)23-12-14-27-15-13-23/h1-2,4,6,8-11,20H,3,5,7,12-15H2,(H,22,24)/t20-/m0/s1
InChIKeyNELBNQAJOVLRDM-FQEVSTJZSA-N
XLogP2.51
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-morpholin-4-ylsulfonylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)prop-2-enamide
CID 4283211
2-methoxy-5-morpholin-4-ylsulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 28570089
2,4-dichloro-5-morpholin-4-ylsulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2368017
3-(4-piperidin-1-ylsulfonylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 46385955
4-(phenylsulfamoyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 42992525
4-propan-2-ylsulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 51955051
[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 3-morpholin-4-ylsulfonylbenzoate
CID 4171240
4-piperidin-1-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 92679213
4-piperidin-1-yl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 92679214
4-[[2-(prop-2-enoylamino)-4,6-dihydrofuro[2,3-c]pyrrol-5-yl]sulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 89238027
2-chloro-5-piperidin-1-ylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 4235471
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-4-piperidin-1-ylsulfonylbenzamide
CID 8891035

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-ylsulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
The IUPAC name of 4-morpholin-4-ylsulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide (CID 2450785) is 4-morpholin-4-ylsulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide.
What is the SMILES notation for 4-morpholin-4-ylsulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
The canonical SMILES for 4-morpholin-4-ylsulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide is O=C(N[C@H]1CCCc2ccccc21)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 4-morpholin-4-ylsulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
The InChIKey is NELBNQAJOVLRDM-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H24N2O4S/c24-21(22-20-7-3-5-16-4-1-2-6-19(16)20)17-8-10-18(11-9-17)28(25,26)23-12-14-27-15-13-23/h1-2,4,6,8-11,20H,3,5,7,12-15H2,(H,22,24)/t20-/m0/s1.
What are the key properties of 4-morpholin-4-ylsulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
4-morpholin-4-ylsulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide has a molecular weight of 400.50 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-ylsulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide is sourced from PubChem (CID 2450785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).