(2S)-N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-3-methyl-2-(phenylcarbamoylamino)butanamide

C24H32N4O5S — CID 98498863

IUPAC(2S)-N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-3-methyl-2-(phenylcarbamoylamino)butanamide
SMILESCC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1
InChIInChI=1S/C24H32N4O5S/c1-16(2)22(27-24(30)26-19-8-6-5-7-9-19)23(29)25-20-10-12-21(13-11-20)34(31,32)28-14-17(3)33-18(4)15-28/h5-13,16-18,22H,14-15H2,1-4H3,(H,25,29)(H2,26,27,30)/t17-,18-,22+/m1/s1
InChIKeyMWSNNASQHQJKNN-HMFYCAOWSA-N
MW488.61 g/mol
LogP3.27
Rot. Bonds7

About (2S)-N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-3-methyl-2-(phenylcarbamoylamino)butanamide

(2S)-N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-3-methyl-2-(phenylcarbamoylamino)butanamide (PubChem CID 98498863) has the molecular formula C24H32N4O5S and a molecular weight of 488.61 g/mol. Its IUPAC name is (2S)-N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-3-methyl-2-(phenylcarbamoylamino)butanamide.

Molecular Properties

Compound Name(2S)-N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-3-methyl-2-(phenylcarbamoylamino)butanamide
PubChem CID98498863
Molecular FormulaC24H32N4O5S
Molecular Weight488.61 g/mol
Exact Mass488.21
IUPAC Name(2S)-N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-3-methyl-2-(phenylcarbamoylamino)butanamide
SMILESCC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1
InChIInChI=1S/C24H32N4O5S/c1-16(2)22(27-24(30)26-19-8-6-5-7-9-19)23(29)25-20-10-12-21(13-11-20)34(31,32)28-14-17(3)33-18(4)15-28/h5-13,16-18,22H,14-15H2,1-4H3,(H,25,29)(H2,26,27,30)/t17-,18-,22+/m1/s1
InChIKeyMWSNNASQHQJKNN-HMFYCAOWSA-N
XLogP3.27
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.61
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S)-N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-3-methyl-2-(phenylcarbamoylamino)butanamide with MolForge

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Related Compounds

1-[(2S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-1-oxobutan-2-yl]-3-phenylurea
CID 98613367
4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-phenylbenzamide
CID 40606298
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-phenylbenzamide
CID 6463291
(2R)-2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]-3-methylbutanoic acid
CID 119368860
N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-4-phenylbenzamide
CID 167754266
N-[4-(2-methyl-6-phenylmorpholin-4-yl)sulfonylphenyl]acetamide
CID 47958927
3-(benzenesulfonyl)-N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]propanamide
CID 26918163
(2R)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-2-(2,3-dimethylphenoxy)propanamide
CID 41301053
(2S)-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-2-(2,3-dimethylphenoxy)propanamide
CID 98377173
N-(4-fluorophenyl)-3-methyl-2-(phenylcarbamoylamino)butanamide
CID 17462903
N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-2-fluorobenzamide
CID 51152550
N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-2-methylcyclopropane-1-carboxamide
CID 51152560

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-3-methyl-2-(phenylcarbamoylamino)butanamide?
The IUPAC name of (2S)-N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-3-methyl-2-(phenylcarbamoylamino)butanamide (CID 98498863) is (2S)-N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-3-methyl-2-(phenylcarbamoylamino)butanamide.
What is the SMILES notation for (2S)-N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-3-methyl-2-(phenylcarbamoylamino)butanamide?
The canonical SMILES for (2S)-N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-3-methyl-2-(phenylcarbamoylamino)butanamide is CC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1.
What is the InChIKey of (2S)-N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-3-methyl-2-(phenylcarbamoylamino)butanamide?
The InChIKey is MWSNNASQHQJKNN-HMFYCAOWSA-N. The full InChI is InChI=1S/C24H32N4O5S/c1-16(2)22(27-24(30)26-19-8-6-5-7-9-19)23(29)25-20-10-12-21(13-11-20)34(31,32)28-14-17(3)33-18(4)15-28/h5-13,16-18,22H,14-15H2,1-4H3,(H,25,29)(H2,26,27,30)/t17-,18-,22+/m1/s1.
What are the key properties of (2S)-N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-3-methyl-2-(phenylcarbamoylamino)butanamide?
(2S)-N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-3-methyl-2-(phenylcarbamoylamino)butanamide has a molecular weight of 488.61 g/mol, XLogP of 3.27, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-3-methyl-2-(phenylcarbamoylamino)butanamide is sourced from PubChem (CID 98498863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).