(4S)-N-ethyl-4-hydroxy-4-[4-(methanesulfonamido)phenyl]butanamide

C13H20N2O4S — CID 10685624

IUPAC(4S)-N-ethyl-4-hydroxy-4-[4-(methanesulfonamido)phenyl]butanamide
SMILESCCNC(=O)CC[C@H](O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C13H20N2O4S/c1-3-14-13(17)9-8-12(16)10-4-6-11(7-5-10)15-20(2,18)19/h4-7,12,15-16H,3,8-9H2,1-2H3,(H,14,17)/t12-/m0/s1
InChIKeyIMIVPMBAZNYUHG-LBPRGKRZSA-N
MW300.38 g/mol
LogP1.01
Rot. Bonds7

About (4S)-N-ethyl-4-hydroxy-4-[4-(methanesulfonamido)phenyl]butanamide

(4S)-N-ethyl-4-hydroxy-4-[4-(methanesulfonamido)phenyl]butanamide (PubChem CID 10685624) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is (4S)-N-ethyl-4-hydroxy-4-[4-(methanesulfonamido)phenyl]butanamide.

Molecular Properties

Compound Name(4S)-N-ethyl-4-hydroxy-4-[4-(methanesulfonamido)phenyl]butanamide
PubChem CID10685624
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Name(4S)-N-ethyl-4-hydroxy-4-[4-(methanesulfonamido)phenyl]butanamide
SMILESCCNC(=O)CC[C@H](O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C13H20N2O4S/c1-3-14-13(17)9-8-12(16)10-4-6-11(7-5-10)15-20(2,18)19/h4-7,12,15-16H,3,8-9H2,1-2H3,(H,14,17)/t12-/m0/s1
InChIKeyIMIVPMBAZNYUHG-LBPRGKRZSA-N
XLogP1.01
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-[4-(methanesulfonamido)phenyl]acetamide
CID 60747826
N-[4-(1-hydroxy-2-propan-2-ylarsanylethyl)phenyl]methanesulfonamide
CID 173166355
N-[4-(methanesulfonamido)phenyl]-4-methylpentanamide
CID 29357603
N-[4-[4-[heptyl(methyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide
CID 14891458
N-ethyl-N'-(3-hydroxy-3-phenylpropyl)butanediamide
CID 111472033
N-[4-[4-(1-butylazepan-1-ium-1-yl)-1-hydroxybutyl]phenyl]methanesulfonamide
CID 70410687
N-[4-[(1S)-4-[7,7-difluoroheptyl(ethyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide
CID 10812091
4-(4-aminophenyl)-N-ethyl-4-oxobutanamide;4-(4-aminophenyl)-4-oxobutanoic acid;1,6-dibromohexane;N-[4-[4-(ethylamino)-1-hydroxybutyl]phenyl]methanesulfonamide;N-[4-[4-[ethyl-[6-[ethyl-[4-hydroxy-4-[4-(methanesulfonamido)phenyl]butyl]amino]hexyl]amino]-1-hydroxybutyl]phenyl]methanesulfonamide;N-[4-[4-[ethyl(heptyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide;N-ethyl-4-[4-(methanesulfonamido)phenyl]-4-oxobutanamide
CID 158839048
2-hydroxy-2-[4-(methanesulfonamido)phenyl]acetamide
CID 57197585
N-[4-[4-(1-butylazepan-1-ium-1-yl)-1-hydroxybutyl]phenyl]methanesulfonamide bromide
CID 70410686
N-[4-(2-azido-1-hydroxyethyl)phenyl]methanesulfonamide
CID 90989606
(E)-but-2-enedioic acid;N-[4-[4-[ethyl-[(6S)-6-fluoroheptyl]amino]-1-hydroxybutyl]phenyl]methanesulfonamide
CID 70301359

Frequently Asked Questions

What is the IUPAC name of (4S)-N-ethyl-4-hydroxy-4-[4-(methanesulfonamido)phenyl]butanamide?
The IUPAC name of (4S)-N-ethyl-4-hydroxy-4-[4-(methanesulfonamido)phenyl]butanamide (CID 10685624) is (4S)-N-ethyl-4-hydroxy-4-[4-(methanesulfonamido)phenyl]butanamide.
What is the SMILES notation for (4S)-N-ethyl-4-hydroxy-4-[4-(methanesulfonamido)phenyl]butanamide?
The canonical SMILES for (4S)-N-ethyl-4-hydroxy-4-[4-(methanesulfonamido)phenyl]butanamide is CCNC(=O)CC[C@H](O)c1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of (4S)-N-ethyl-4-hydroxy-4-[4-(methanesulfonamido)phenyl]butanamide?
The InChIKey is IMIVPMBAZNYUHG-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-3-14-13(17)9-8-12(16)10-4-6-11(7-5-10)15-20(2,18)19/h4-7,12,15-16H,3,8-9H2,1-2H3,(H,14,17)/t12-/m0/s1.
What are the key properties of (4S)-N-ethyl-4-hydroxy-4-[4-(methanesulfonamido)phenyl]butanamide?
(4S)-N-ethyl-4-hydroxy-4-[4-(methanesulfonamido)phenyl]butanamide has a molecular weight of 300.38 g/mol, XLogP of 1.01, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-ethyl-4-hydroxy-4-[4-(methanesulfonamido)phenyl]butanamide is sourced from PubChem (CID 10685624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).