N-[2-(butan-2-ylamino)-2-oxoethyl]-4-morpholin-4-ylsulfonylbenzamide

C17H25N3O5S — CID 112990790

IUPACN-[2-(butan-2-ylamino)-2-oxoethyl]-4-morpholin-4-ylsulfonylbenzamide
SMILESCCC(C)NC(=O)CNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H25N3O5S/c1-3-13(2)19-16(21)12-18-17(22)14-4-6-15(7-5-14)26(23,24)20-8-10-25-11-9-20/h4-7,13H,3,8-12H2,1-2H3,(H,18,22)(H,19,21)
InChIKeyZOMAFMFEUDOQBH-UHFFFAOYSA-N
MW383.47 g/mol
LogP0.35
Rot. Bonds7

About N-[2-(butan-2-ylamino)-2-oxoethyl]-4-morpholin-4-ylsulfonylbenzamide

N-[2-(butan-2-ylamino)-2-oxoethyl]-4-morpholin-4-ylsulfonylbenzamide (PubChem CID 112990790) has the molecular formula C17H25N3O5S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-[2-(butan-2-ylamino)-2-oxoethyl]-4-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(butan-2-ylamino)-2-oxoethyl]-4-morpholin-4-ylsulfonylbenzamide
PubChem CID112990790
Molecular FormulaC17H25N3O5S
Molecular Weight383.47 g/mol
Exact Mass383.15
IUPAC NameN-[2-(butan-2-ylamino)-2-oxoethyl]-4-morpholin-4-ylsulfonylbenzamide
SMILESCCC(C)NC(=O)CNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H25N3O5S/c1-3-13(2)19-16(21)12-18-17(22)14-4-6-15(7-5-14)26(23,24)20-8-10-25-11-9-20/h4-7,13H,3,8-12H2,1-2H3,(H,18,22)(H,19,21)
InChIKeyZOMAFMFEUDOQBH-UHFFFAOYSA-N
XLogP0.35
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-heptan-2-yl]-4-morpholin-4-ylsulfonylbenzamide
CID 7927777
N-[(2R)-butan-2-yl]-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]benzamide
CID 26706280
N-[(2S)-butan-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 26532430
N-hexyl-4-morpholin-4-ylsulfonylbenzamide
CID 26264686
4-morpholin-4-ylsulfonyl-N-nonylbenzamide
CID 46550002
N-(2-morpholin-4-yl-2-oxoethyl)-4-piperidin-1-ylsulfonylbenzamide
CID 112991295
N-butan-2-yl-3-morpholin-4-ylsulfonylbenzamide
CID 42906024
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
N-[1-(4-methylsulfonylphenyl)propyl]-4-morpholin-4-ylsulfonylbenzamide
CID 133189658
(2S)-4-methyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]pentanoic acid
CID 119361822
N-(3-methylsulfonylprop-2-enyl)-4-morpholin-4-ylsulfonylbenzamide
CID 171136981

Frequently Asked Questions

What is the IUPAC name of N-[2-(butan-2-ylamino)-2-oxoethyl]-4-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[2-(butan-2-ylamino)-2-oxoethyl]-4-morpholin-4-ylsulfonylbenzamide (CID 112990790) is N-[2-(butan-2-ylamino)-2-oxoethyl]-4-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-(butan-2-ylamino)-2-oxoethyl]-4-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[2-(butan-2-ylamino)-2-oxoethyl]-4-morpholin-4-ylsulfonylbenzamide is CCC(C)NC(=O)CNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of N-[2-(butan-2-ylamino)-2-oxoethyl]-4-morpholin-4-ylsulfonylbenzamide?
The InChIKey is ZOMAFMFEUDOQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O5S/c1-3-13(2)19-16(21)12-18-17(22)14-4-6-15(7-5-14)26(23,24)20-8-10-25-11-9-20/h4-7,13H,3,8-12H2,1-2H3,(H,18,22)(H,19,21).
What are the key properties of N-[2-(butan-2-ylamino)-2-oxoethyl]-4-morpholin-4-ylsulfonylbenzamide?
N-[2-(butan-2-ylamino)-2-oxoethyl]-4-morpholin-4-ylsulfonylbenzamide has a molecular weight of 383.47 g/mol, XLogP of 0.35, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(butan-2-ylamino)-2-oxoethyl]-4-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 112990790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).