N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-N'-propan-2-yloxamide

C16H23N3O5S — CID 30126407

IUPACN-[(4-morpholin-4-ylsulfonylphenyl)methyl]-N'-propan-2-yloxamide
SMILESCC(C)NC(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C16H23N3O5S/c1-12(2)18-16(21)15(20)17-11-13-3-5-14(6-4-13)25(22,23)19-7-9-24-10-8-19/h3-6,12H,7-11H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyKTVCYUMZGQHWLL-UHFFFAOYSA-N
MW369.44 g/mol
LogP-0.15
Rot. Bonds5

About N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-N'-propan-2-yloxamide

N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-N'-propan-2-yloxamide (PubChem CID 30126407) has the molecular formula C16H23N3O5S and a molecular weight of 369.44 g/mol. Its IUPAC name is N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-N'-propan-2-yloxamide.

Molecular Properties

Compound NameN-[(4-morpholin-4-ylsulfonylphenyl)methyl]-N'-propan-2-yloxamide
PubChem CID30126407
Molecular FormulaC16H23N3O5S
Molecular Weight369.44 g/mol
Exact Mass369.14
IUPAC NameN-[(4-morpholin-4-ylsulfonylphenyl)methyl]-N'-propan-2-yloxamide
SMILESCC(C)NC(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C16H23N3O5S/c1-12(2)18-16(21)15(20)17-11-13-3-5-14(6-4-13)25(22,23)19-7-9-24-10-8-19/h3-6,12H,7-11H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyKTVCYUMZGQHWLL-UHFFFAOYSA-N
XLogP-0.15
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-N'-propan-2-yloxamide
CID 17248838
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
N'-[(2R)-butan-2-yl]-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]oxamide
CID 30127580
(Z)-2-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pent-2-enamide
CID 49016183
(2S)-2-amino-4-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pentanamide;hydrochloride
CID 119690168
N'-(4-methoxyphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]oxamide
CID 30127277
1-[[4-(methylsulfonylmethyl)phenyl]methyl]-3-[(4-morpholin-4-ylsulfonylphenyl)methyl]urea
CID 55909489
N'-(2,5-dimethylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]oxamide
CID 30126850
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]cyclopropanecarboxamide
CID 17436529
3-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 43875203

Frequently Asked Questions

What is the IUPAC name of N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-N'-propan-2-yloxamide?
The IUPAC name of N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-N'-propan-2-yloxamide (CID 30126407) is N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-N'-propan-2-yloxamide.
What is the SMILES notation for N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-N'-propan-2-yloxamide?
The canonical SMILES for N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-N'-propan-2-yloxamide is CC(C)NC(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-N'-propan-2-yloxamide?
The InChIKey is KTVCYUMZGQHWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O5S/c1-12(2)18-16(21)15(20)17-11-13-3-5-14(6-4-13)25(22,23)19-7-9-24-10-8-19/h3-6,12H,7-11H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-N'-propan-2-yloxamide?
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-N'-propan-2-yloxamide has a molecular weight of 369.44 g/mol, XLogP of -0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-N'-propan-2-yloxamide is sourced from PubChem (CID 30126407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).