(2S)-N-(3-ethyl-2-morpholin-4-ylpentyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide

C21H35N3O5S — CID 55939114

IUPAC(2S)-N-(3-ethyl-2-morpholin-4-ylpentyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide
SMILESCCC(CC)C(CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(OC)cc1)N1CCOCC1
InChIInChI=1S/C21H35N3O5S/c1-5-17(6-2)20(24-11-13-29-14-12-24)15-22-21(25)16(3)23-30(26,27)19-9-7-18(28-4)8-10-19/h7-10,16-17,20,23H,5-6,11-15H2,1-4H3,(H,22,25)/t16-,20?/m0/s1
InChIKeyGSNPFPHDTOGUMH-DJZRFWRSSA-N
MW441.59 g/mol
LogP1.62
Rot. Bonds11

About (2S)-N-(3-ethyl-2-morpholin-4-ylpentyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide

(2S)-N-(3-ethyl-2-morpholin-4-ylpentyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide (PubChem CID 55939114) has the molecular formula C21H35N3O5S and a molecular weight of 441.59 g/mol. Its IUPAC name is (2S)-N-(3-ethyl-2-morpholin-4-ylpentyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound Name(2S)-N-(3-ethyl-2-morpholin-4-ylpentyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide
PubChem CID55939114
Molecular FormulaC21H35N3O5S
Molecular Weight441.59 g/mol
Exact Mass441.23
IUPAC Name(2S)-N-(3-ethyl-2-morpholin-4-ylpentyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide
SMILESCCC(CC)C(CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(OC)cc1)N1CCOCC1
InChIInChI=1S/C21H35N3O5S/c1-5-17(6-2)20(24-11-13-29-14-12-24)15-22-21(25)16(3)23-30(26,27)19-9-7-18(28-4)8-10-19/h7-10,16-17,20,23H,5-6,11-15H2,1-4H3,(H,22,25)/t16-,20?/m0/s1
InChIKeyGSNPFPHDTOGUMH-DJZRFWRSSA-N
XLogP1.62
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.59
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-ethyl-2-morpholin-4-ylpentyl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 42943249
(2S)-N-[(2S)-3-ethyl-2-morpholin-4-ylpentyl]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 25495550
N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(4-methoxyphenyl)propanamide
CID 75691751
(2S)-N-[(2R)-butan-2-yl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 34675609
N-butyl-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 3558322
(2S)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanamide
CID 55937120
N-(3-ethyl-2-morpholin-4-ylpentyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 42888442
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 24980638
2-(4-cyanophenoxy)-N-(3-ethyl-2-morpholin-4-ylpentyl)propanamide
CID 134053073
4-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)benzenesulfonamide
CID 55598693
4-bromo-N-(3-ethyl-2-morpholin-4-ylpentyl)benzenesulfonamide
CID 46582725
(2S)-2-(benzenesulfonamido)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]propanamide
CID 55938397

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-ethyl-2-morpholin-4-ylpentyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide?
The IUPAC name of (2S)-N-(3-ethyl-2-morpholin-4-ylpentyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide (CID 55939114) is (2S)-N-(3-ethyl-2-morpholin-4-ylpentyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide.
What is the SMILES notation for (2S)-N-(3-ethyl-2-morpholin-4-ylpentyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide?
The canonical SMILES for (2S)-N-(3-ethyl-2-morpholin-4-ylpentyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide is CCC(CC)C(CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(OC)cc1)N1CCOCC1.
What is the InChIKey of (2S)-N-(3-ethyl-2-morpholin-4-ylpentyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide?
The InChIKey is GSNPFPHDTOGUMH-DJZRFWRSSA-N. The full InChI is InChI=1S/C21H35N3O5S/c1-5-17(6-2)20(24-11-13-29-14-12-24)15-22-21(25)16(3)23-30(26,27)19-9-7-18(28-4)8-10-19/h7-10,16-17,20,23H,5-6,11-15H2,1-4H3,(H,22,25)/t16-,20?/m0/s1.
What are the key properties of (2S)-N-(3-ethyl-2-morpholin-4-ylpentyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide?
(2S)-N-(3-ethyl-2-morpholin-4-ylpentyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide has a molecular weight of 441.59 g/mol, XLogP of 1.62, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-ethyl-2-morpholin-4-ylpentyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 55939114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).