3-(4-morpholin-4-ylsulfonylphenyl)-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]propanamide

C24H32N2O4S — CID 30402422

IUPAC3-(4-morpholin-4-ylsulfonylphenyl)-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]propanamide
SMILESCc1cc(C)c([C@H](C)NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C
InChIInChI=1S/C24H32N2O4S/c1-17-15-19(3)23(16-18(17)2)20(4)25-24(27)10-7-21-5-8-22(9-6-21)31(28,29)26-11-13-30-14-12-26/h5-6,8-9,15-16,20H,7,10-14H2,1-4H3,(H,25,27)/t20-/m0/s1
InChIKeyKTTGBADUAVEKIK-FQEVSTJZSA-N
MW444.60 g/mol
LogP3.44
Rot. Bonds7

About 3-(4-morpholin-4-ylsulfonylphenyl)-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]propanamide

3-(4-morpholin-4-ylsulfonylphenyl)-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]propanamide (PubChem CID 30402422) has the molecular formula C24H32N2O4S and a molecular weight of 444.60 g/mol. Its IUPAC name is 3-(4-morpholin-4-ylsulfonylphenyl)-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(4-morpholin-4-ylsulfonylphenyl)-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]propanamide
PubChem CID30402422
Molecular FormulaC24H32N2O4S
Molecular Weight444.60 g/mol
Exact Mass444.21
IUPAC Name3-(4-morpholin-4-ylsulfonylphenyl)-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]propanamide
SMILESCc1cc(C)c([C@H](C)NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C
InChIInChI=1S/C24H32N2O4S/c1-17-15-19(3)23(16-18(17)2)20(4)25-24(27)10-7-21-5-8-22(9-6-21)31(28,29)26-11-13-30-14-12-26/h5-6,8-9,15-16,20H,7,10-14H2,1-4H3,(H,25,27)/t20-/m0/s1
InChIKeyKTTGBADUAVEKIK-FQEVSTJZSA-N
XLogP3.44
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.60
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-bromophenyl)ethyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 43873920
N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 28557563
3-[4-(methylsulfamoyl)phenyl]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]propanamide
CID 30402388
3-[4-(propan-2-ylsulfamoyl)phenyl]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]propanamide
CID 30402312
3-[4-(tert-butylsulfamoyl)phenyl]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]propanamide
CID 30402364
3-(4-morpholin-4-ylsulfonylphenyl)-N-(1-piperidin-1-ylpropan-2-yl)propanamide
CID 55652257
3-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 43875203
3-(4-methylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 19061853
3-(4-morpholin-4-ylsulfonylphenyl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide
CID 45352266
3-(4-morpholin-4-ylsulfonylphenyl)-N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]propanamide
CID 55621180
3-[4-(benzylsulfamoyl)phenyl]-N-[1-(2,4,5-trimethylphenyl)ethyl]propanamide
CID 43906454
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[1-(2,4-difluorophenyl)ethyl]propanamide
CID 112763791

Frequently Asked Questions

What is the IUPAC name of 3-(4-morpholin-4-ylsulfonylphenyl)-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]propanamide?
The IUPAC name of 3-(4-morpholin-4-ylsulfonylphenyl)-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]propanamide (CID 30402422) is 3-(4-morpholin-4-ylsulfonylphenyl)-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(4-morpholin-4-ylsulfonylphenyl)-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]propanamide?
The canonical SMILES for 3-(4-morpholin-4-ylsulfonylphenyl)-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]propanamide is Cc1cc(C)c([C@H](C)NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C.
What is the InChIKey of 3-(4-morpholin-4-ylsulfonylphenyl)-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]propanamide?
The InChIKey is KTTGBADUAVEKIK-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H32N2O4S/c1-17-15-19(3)23(16-18(17)2)20(4)25-24(27)10-7-21-5-8-22(9-6-21)31(28,29)26-11-13-30-14-12-26/h5-6,8-9,15-16,20H,7,10-14H2,1-4H3,(H,25,27)/t20-/m0/s1.
What are the key properties of 3-(4-morpholin-4-ylsulfonylphenyl)-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]propanamide?
3-(4-morpholin-4-ylsulfonylphenyl)-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]propanamide has a molecular weight of 444.60 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-morpholin-4-ylsulfonylphenyl)-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]propanamide is sourced from PubChem (CID 30402422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).