N-(1-aminohexan-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide

C19H31N3O4S — CID 119668403

IUPACN-(1-aminohexan-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
SMILESCCCCC(CN)NC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C19H31N3O4S/c1-2-3-4-17(15-20)21-19(23)10-7-16-5-8-18(9-6-16)27(24,25)22-11-13-26-14-12-22/h5-6,8-9,17H,2-4,7,10-15,20H2,1H3,(H,21,23)
InChIKeyUMLJETXOOBGCTD-UHFFFAOYSA-N
MW397.54 g/mol
LogP1.27
Rot. Bonds10

About N-(1-aminohexan-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide

N-(1-aminohexan-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide (PubChem CID 119668403) has the molecular formula C19H31N3O4S and a molecular weight of 397.54 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
PubChem CID119668403
Molecular FormulaC19H31N3O4S
Molecular Weight397.54 g/mol
Exact Mass397.20
IUPAC NameN-(1-aminohexan-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
SMILESCCCCC(CN)NC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C19H31N3O4S/c1-2-3-4-17(15-20)21-19(23)10-7-16-5-8-18(9-6-16)27(24,25)22-11-13-26-14-12-22/h5-6,8-9,17H,2-4,7,10-15,20H2,1H3,(H,21,23)
InChIKeyUMLJETXOOBGCTD-UHFFFAOYSA-N
XLogP1.27
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.54
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 43875203
3-(4-morpholin-4-ylsulfonylphenyl)-N-(1-piperidin-1-ylpropan-2-yl)propanamide
CID 55652257
4-(4-hexylphenyl)sulfonylmorpholine
CID 84557725
3-(4-morpholin-4-ylsulfonylphenyl)-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]propanamide
CID 30402422
N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 28557563
N-[3-(4-methoxyphenyl)propyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55921189
3-(4-methylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 19061853
N-(4-methoxyphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 7733845
N-[1-(3-bromophenyl)ethyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 43873920
N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide;hydrochloride
CID 119575626
N-(1-aminopentan-2-yl)-3-(4-methoxyphenyl)propanamide
CID 65191439
N-(2-aminophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 119422735

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The IUPAC name of N-(1-aminohexan-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide (CID 119668403) is N-(1-aminohexan-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide.
What is the SMILES notation for N-(1-aminohexan-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The canonical SMILES for N-(1-aminohexan-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide is CCCCC(CN)NC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of N-(1-aminohexan-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The InChIKey is UMLJETXOOBGCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O4S/c1-2-3-4-17(15-20)21-19(23)10-7-16-5-8-18(9-6-16)27(24,25)22-11-13-26-14-12-22/h5-6,8-9,17H,2-4,7,10-15,20H2,1H3,(H,21,23).
What are the key properties of N-(1-aminohexan-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
N-(1-aminohexan-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide has a molecular weight of 397.54 g/mol, XLogP of 1.27, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 119668403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).