N-[3-(butan-2-ylamino)-3-oxopropyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide

C19H29N3O6S — CID 55948159

IUPACN-[3-(butan-2-ylamino)-3-oxopropyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
SMILESCCC(C)NC(=O)CCNC(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C19H29N3O6S/c1-4-14(2)21-18(23)7-8-20-19(24)15-5-6-16(27-3)17(13-15)29(25,26)22-9-11-28-12-10-22/h5-6,13-14H,4,7-12H2,1-3H3,(H,20,24)(H,21,23)
InChIKeyNRWDDTHQHXBWHB-UHFFFAOYSA-N
MW427.52 g/mol
LogP0.75
Rot. Bonds9

About N-[3-(butan-2-ylamino)-3-oxopropyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide

N-[3-(butan-2-ylamino)-3-oxopropyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 55948159) has the molecular formula C19H29N3O6S and a molecular weight of 427.52 g/mol. Its IUPAC name is N-[3-(butan-2-ylamino)-3-oxopropyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[3-(butan-2-ylamino)-3-oxopropyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
PubChem CID55948159
Molecular FormulaC19H29N3O6S
Molecular Weight427.52 g/mol
Exact Mass427.18
IUPAC NameN-[3-(butan-2-ylamino)-3-oxopropyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
SMILESCCC(C)NC(=O)CCNC(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C19H29N3O6S/c1-4-14(2)21-18(23)7-8-20-19(24)15-5-6-16(27-3)17(13-15)29(25,26)22-9-11-28-12-10-22/h5-6,13-14H,4,7-12H2,1-3H3,(H,20,24)(H,21,23)
InChIKeyNRWDDTHQHXBWHB-UHFFFAOYSA-N
XLogP0.75
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.52
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-(butan-2-ylamino)-3-oxopropyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide with MolForge

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Related Compounds

4-methoxy-N-(2-methoxyethyl)-3-morpholin-4-ylsulfonylbenzamide
CID 18892275
N-(3-ethoxypropyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 18892317
N-[3-(butan-2-ylamino)-3-oxopropyl]-3-(diethylsulfamoyl)-4-methoxybenzamide
CID 55948926
4-methoxy-N-[4-(4-methylpiperazin-1-yl)butyl]-3-morpholin-4-ylsulfonylbenzamide
CID 55656696
N-[2-(4-chlorophenyl)ethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 2161742
4-methoxy-3-morpholin-4-ylsulfonyl-N-(oxolan-2-ylmethyl)benzamide
CID 18892278
4-methoxy-3-morpholin-4-ylsulfonyl-N-[(1S)-1-phenylethyl]benzamide
CID 8712994
N-[[4-(butanoylamino)phenyl]methyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 55781546
N-butan-2-yl-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 46584081
N-[1-(4-methoxy-3-methylphenyl)propyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 133162026
N-[(2S)-1-aminopropan-2-yl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride
CID 120507324
4-methoxy-N-pentyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 40742279

Frequently Asked Questions

What is the IUPAC name of N-[3-(butan-2-ylamino)-3-oxopropyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[3-(butan-2-ylamino)-3-oxopropyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide (CID 55948159) is N-[3-(butan-2-ylamino)-3-oxopropyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[3-(butan-2-ylamino)-3-oxopropyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[3-(butan-2-ylamino)-3-oxopropyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide is CCC(C)NC(=O)CCNC(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-[3-(butan-2-ylamino)-3-oxopropyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is NRWDDTHQHXBWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O6S/c1-4-14(2)21-18(23)7-8-20-19(24)15-5-6-16(27-3)17(13-15)29(25,26)22-9-11-28-12-10-22/h5-6,13-14H,4,7-12H2,1-3H3,(H,20,24)(H,21,23).
What are the key properties of N-[3-(butan-2-ylamino)-3-oxopropyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide?
N-[3-(butan-2-ylamino)-3-oxopropyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 427.52 g/mol, XLogP of 0.75, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(butan-2-ylamino)-3-oxopropyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 55948159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).