(3R)-N,N-dimethyl-3-[(4-morpholin-4-ylsulfonylphenyl)methylamino]butanamide

C17H27N3O4S — CID 25480950

IUPAC(3R)-N,N-dimethyl-3-[(4-morpholin-4-ylsulfonylphenyl)methylamino]butanamide
SMILESC[C@H](CC(=O)N(C)C)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H27N3O4S/c1-14(12-17(21)19(2)3)18-13-15-4-6-16(7-5-15)25(22,23)20-8-10-24-11-9-20/h4-7,14,18H,8-13H2,1-3H3/t14-/m1/s1
InChIKeyPZLVLNZSHOCFPS-CQSZACIVSA-N
MW369.49 g/mol
LogP0.66
Rot. Bonds7

About (3R)-N,N-dimethyl-3-[(4-morpholin-4-ylsulfonylphenyl)methylamino]butanamide

(3R)-N,N-dimethyl-3-[(4-morpholin-4-ylsulfonylphenyl)methylamino]butanamide (PubChem CID 25480950) has the molecular formula C17H27N3O4S and a molecular weight of 369.49 g/mol. Its IUPAC name is (3R)-N,N-dimethyl-3-[(4-morpholin-4-ylsulfonylphenyl)methylamino]butanamide.

Molecular Properties

Compound Name(3R)-N,N-dimethyl-3-[(4-morpholin-4-ylsulfonylphenyl)methylamino]butanamide
PubChem CID25480950
Molecular FormulaC17H27N3O4S
Molecular Weight369.49 g/mol
Exact Mass369.17
IUPAC Name(3R)-N,N-dimethyl-3-[(4-morpholin-4-ylsulfonylphenyl)methylamino]butanamide
SMILESC[C@H](CC(=O)N(C)C)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H27N3O4S/c1-14(12-17(21)19(2)3)18-13-15-4-6-16(7-5-15)25(22,23)20-8-10-24-11-9-20/h4-7,14,18H,8-13H2,1-3H3/t14-/m1/s1
InChIKeyPZLVLNZSHOCFPS-CQSZACIVSA-N
XLogP0.66
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-N'-propan-2-yloxamide
CID 30126407
2-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]butanamide
CID 18148823
(2R)-2-amino-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide;hydrochloride
CID 119271587
2-methyl-3-(methylamino)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 119690147
(2S)-2-amino-4-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pentanamide;hydrochloride
CID 119690168
1-[[4-(methylsulfonylmethyl)phenyl]methyl]-3-[(4-morpholin-4-ylsulfonylphenyl)methyl]urea
CID 55909489
methyl 2-(4-morpholin-4-ylsulfonylphenyl)acetate
CID 559409
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 28562495
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]cyclopropanecarboxamide
CID 17436529
3-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 43875203
2-(butan-2-ylamino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 4671972
N'-[(2R)-butan-2-yl]-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]oxamide
CID 30127580

Frequently Asked Questions

What is the IUPAC name of (3R)-N,N-dimethyl-3-[(4-morpholin-4-ylsulfonylphenyl)methylamino]butanamide?
The IUPAC name of (3R)-N,N-dimethyl-3-[(4-morpholin-4-ylsulfonylphenyl)methylamino]butanamide (CID 25480950) is (3R)-N,N-dimethyl-3-[(4-morpholin-4-ylsulfonylphenyl)methylamino]butanamide.
What is the SMILES notation for (3R)-N,N-dimethyl-3-[(4-morpholin-4-ylsulfonylphenyl)methylamino]butanamide?
The canonical SMILES for (3R)-N,N-dimethyl-3-[(4-morpholin-4-ylsulfonylphenyl)methylamino]butanamide is C[C@H](CC(=O)N(C)C)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of (3R)-N,N-dimethyl-3-[(4-morpholin-4-ylsulfonylphenyl)methylamino]butanamide?
The InChIKey is PZLVLNZSHOCFPS-CQSZACIVSA-N. The full InChI is InChI=1S/C17H27N3O4S/c1-14(12-17(21)19(2)3)18-13-15-4-6-16(7-5-15)25(22,23)20-8-10-24-11-9-20/h4-7,14,18H,8-13H2,1-3H3/t14-/m1/s1.
What are the key properties of (3R)-N,N-dimethyl-3-[(4-morpholin-4-ylsulfonylphenyl)methylamino]butanamide?
(3R)-N,N-dimethyl-3-[(4-morpholin-4-ylsulfonylphenyl)methylamino]butanamide has a molecular weight of 369.49 g/mol, XLogP of 0.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N,N-dimethyl-3-[(4-morpholin-4-ylsulfonylphenyl)methylamino]butanamide is sourced from PubChem (CID 25480950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).