(2S)-2-(methanesulfonamido)-N,3-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]butanamide

C18H29N3O4S — CID 154839058

IUPAC(2S)-2-(methanesulfonamido)-N,3-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]butanamide
SMILESCC(C)[C@H](NS(C)(=O)=O)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C18H29N3O4S/c1-14(2)17(19-26(4,23)24)18(22)20(3)13-15-5-7-16(8-6-15)21-9-11-25-12-10-21/h5-8,14,17,19H,9-13H2,1-4H3/t17-/m0/s1
InChIKeyPGCROPJIUIYLBV-KRWDZBQOSA-N
MW383.51 g/mol
LogP1.06
Rot. Bonds7

About (2S)-2-(methanesulfonamido)-N,3-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]butanamide

(2S)-2-(methanesulfonamido)-N,3-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]butanamide (PubChem CID 154839058) has the molecular formula C18H29N3O4S and a molecular weight of 383.51 g/mol. Its IUPAC name is (2S)-2-(methanesulfonamido)-N,3-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]butanamide.

Molecular Properties

Compound Name(2S)-2-(methanesulfonamido)-N,3-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]butanamide
PubChem CID154839058
Molecular FormulaC18H29N3O4S
Molecular Weight383.51 g/mol
Exact Mass383.19
IUPAC Name(2S)-2-(methanesulfonamido)-N,3-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]butanamide
SMILESCC(C)[C@H](NS(C)(=O)=O)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C18H29N3O4S/c1-14(2)17(19-26(4,23)24)18(22)20(3)13-15-5-7-16(8-6-15)21-9-11-25-12-10-21/h5-8,14,17,19H,9-13H2,1-4H3/t17-/m0/s1
InChIKeyPGCROPJIUIYLBV-KRWDZBQOSA-N
XLogP1.06
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-(butan-2-ylsulfamoyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
CID 42920355
N-methyl-3-(methylsulfonylmethyl)-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
CID 26973012
3-[[4-(dimethylamino)phenyl]methyl]-1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]urea
CID 38949614
1-[(4-chlorophenyl)methyl]-1-methyl-3-[(4-morpholin-4-ylphenyl)methyl]urea
CID 86831390
3-(4-fluorophenyl)-1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]urea
CID 27734751
N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]pyrrolidine-1-sulfonamide
CID 134025746
N,1-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 31660346
(E)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-phenylprop-2-enamide
CID 26972711
N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-1-sulfonamide
CID 134025751
3-(2,4-difluorophenyl)-1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]urea
CID 46649991
N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 26973149
2-amino-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]butanamide
CID 61254395

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methanesulfonamido)-N,3-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]butanamide?
The IUPAC name of (2S)-2-(methanesulfonamido)-N,3-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]butanamide (CID 154839058) is (2S)-2-(methanesulfonamido)-N,3-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]butanamide.
What is the SMILES notation for (2S)-2-(methanesulfonamido)-N,3-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]butanamide?
The canonical SMILES for (2S)-2-(methanesulfonamido)-N,3-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]butanamide is CC(C)[C@H](NS(C)(=O)=O)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1.
What is the InChIKey of (2S)-2-(methanesulfonamido)-N,3-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]butanamide?
The InChIKey is PGCROPJIUIYLBV-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H29N3O4S/c1-14(2)17(19-26(4,23)24)18(22)20(3)13-15-5-7-16(8-6-15)21-9-11-25-12-10-21/h5-8,14,17,19H,9-13H2,1-4H3/t17-/m0/s1.
What are the key properties of (2S)-2-(methanesulfonamido)-N,3-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]butanamide?
(2S)-2-(methanesulfonamido)-N,3-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]butanamide has a molecular weight of 383.51 g/mol, XLogP of 1.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methanesulfonamido)-N,3-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]butanamide is sourced from PubChem (CID 154839058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).