3-methyl-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]benzenesulfonamide

C19H22N2O4S — CID 110286976

IUPAC3-methyl-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)N[C@H](C(=O)N2CCOCC2)c2ccccc2)c1
InChIInChI=1S/C19H22N2O4S/c1-15-6-5-9-17(14-15)26(23,24)20-18(16-7-3-2-4-8-16)19(22)21-10-12-25-13-11-21/h2-9,14,18,20H,10-13H2,1H3/t18-/m0/s1
InChIKeySBBCQVWWYIFQPA-SFHVURJKSA-N
MW374.46 g/mol
LogP1.87
Rot. Bonds5

About 3-methyl-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]benzenesulfonamide

3-methyl-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]benzenesulfonamide (PubChem CID 110286976) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 3-methyl-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]benzenesulfonamide
PubChem CID110286976
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name3-methyl-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)N[C@H](C(=O)N2CCOCC2)c2ccccc2)c1
InChIInChI=1S/C19H22N2O4S/c1-15-6-5-9-17(14-15)26(23,24)20-18(16-7-3-2-4-8-16)19(22)21-10-12-25-13-11-21/h2-9,14,18,20H,10-13H2,1H3/t18-/m0/s1
InChIKeySBBCQVWWYIFQPA-SFHVURJKSA-N
XLogP1.87
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]benzenesulfonamide
CID 110286966
4-[(2S)-2-(dimethylsulfamoylamino)-2-phenylacetyl]morpholine
CID 110286962
(2R)-2-(2,5-dimethylanilino)-1-morpholin-4-yl-2-phenylethanone
CID 51924051
2-[(3-methylphenyl)sulfonylamino]-2-phenylethanethioamide
CID 61123888
4-methyl-N-[1-[16-[2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-1-oxo-3-phenylpropan-2-yl]benzenesulfonamide
CID 4263217
3-methyl-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 2423667
2-methyl-N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 110286822
ethyl N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]carbamate
CID 110286950
2-methyl-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]benzamide
CID 110286907
4-methyl-N-[(2R)-1-morpholin-4-yl-1-oxobutan-2-yl]benzenesulfonamide
CID 27241664
4-methyl-N-[1-[10-[2-[(4-methylphenyl)sulfonylamino]butanoyl]-1,7-dioxa-4,10-diazacyclododec-4-yl]-1-oxobutan-2-yl]benzenesulfonamide
CID 3110901
3,4-dimethyl-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]benzamide
CID 110286919

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]benzenesulfonamide?
The IUPAC name of 3-methyl-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]benzenesulfonamide (CID 110286976) is 3-methyl-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]benzenesulfonamide.
What is the SMILES notation for 3-methyl-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]benzenesulfonamide?
The canonical SMILES for 3-methyl-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]benzenesulfonamide is Cc1cccc(S(=O)(=O)N[C@H](C(=O)N2CCOCC2)c2ccccc2)c1.
What is the InChIKey of 3-methyl-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]benzenesulfonamide?
The InChIKey is SBBCQVWWYIFQPA-SFHVURJKSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-15-6-5-9-17(14-15)26(23,24)20-18(16-7-3-2-4-8-16)19(22)21-10-12-25-13-11-21/h2-9,14,18,20H,10-13H2,1H3/t18-/m0/s1.
What are the key properties of 3-methyl-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]benzenesulfonamide?
3-methyl-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]benzenesulfonamide has a molecular weight of 374.46 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]benzenesulfonamide is sourced from PubChem (CID 110286976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).