N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetamide

C22H26ClN3O4S — CID 3993998

IUPACN-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetamide
SMILESO=C(CNC1CCCc2ccccc21)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl
InChIInChI=1S/C22H26ClN3O4S/c23-19-9-8-17(31(28,29)26-10-12-30-13-11-26)14-21(19)25-22(27)15-24-20-7-3-5-16-4-1-2-6-18(16)20/h1-2,4,6,8-9,14,20,24H,3,5,7,10-13,15H2,(H,25,27)
InChIKeyMVBSHUFHCPQGHS-UHFFFAOYSA-N
MW463.99 g/mol
LogP2.97
Rot. Bonds6

About N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetamide

N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetamide (PubChem CID 3993998) has the molecular formula C22H26ClN3O4S and a molecular weight of 463.99 g/mol. Its IUPAC name is N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetamide.

Molecular Properties

Compound NameN-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetamide
PubChem CID3993998
Molecular FormulaC22H26ClN3O4S
Molecular Weight463.99 g/mol
Exact Mass463.13
IUPAC NameN-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetamide
SMILESO=C(CNC1CCCc2ccccc21)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl
InChIInChI=1S/C22H26ClN3O4S/c23-19-9-8-17(31(28,29)26-10-12-30-13-11-26)14-21(19)25-22(27)15-24-20-7-3-5-16-4-1-2-6-18(16)20/h1-2,4,6,8-9,14,20,24H,3,5,7,10-13,15H2,(H,25,27)
InChIKeyMVBSHUFHCPQGHS-UHFFFAOYSA-N
XLogP2.97
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.99
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-morpholin-4-ylsulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2450785
2-[(3-morpholin-4-ylsulfonylphenyl)methylsulfanyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 40943120
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)cyclobutanecarboxamide
CID 17475932
[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 3-morpholin-4-ylsulfonylbenzoate
CID 4171240
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-[(2-methoxyphenyl)methylamino]acetamide
CID 3791906
2-chloro-5-piperidin-1-ylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 4235471
2-methoxy-5-morpholin-4-ylsulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 28570089
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 24980260
N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-morpholin-4-ylacetamide
CID 8903917
3-(4-morpholin-4-ylsulfonylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)prop-2-enamide
CID 4283211
2,4-dichloro-5-morpholin-4-ylsulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2368017
N'-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-N-(2-hydroxyphenyl)oxamide
CID 108514243

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetamide?
The IUPAC name of N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetamide (CID 3993998) is N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetamide.
What is the SMILES notation for N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetamide?
The canonical SMILES for N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetamide is O=C(CNC1CCCc2ccccc21)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl.
What is the InChIKey of N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetamide?
The InChIKey is MVBSHUFHCPQGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O4S/c23-19-9-8-17(31(28,29)26-10-12-30-13-11-26)14-21(19)25-22(27)15-24-20-7-3-5-16-4-1-2-6-18(16)20/h1-2,4,6,8-9,14,20,24H,3,5,7,10-13,15H2,(H,25,27).
What are the key properties of N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetamide?
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetamide has a molecular weight of 463.99 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetamide is sourced from PubChem (CID 3993998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).