N-[3-[4-[ethyl(heptyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide

C20H36N2O3S — CID 14891471

IUPACN-[3-[4-[ethyl(heptyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide
SMILESCCCCCCCN(CC)CCCC(O)c1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C20H36N2O3S/c1-4-6-7-8-9-15-22(5-2)16-11-14-20(23)18-12-10-13-19(17-18)21-26(3,24)25/h10,12-13,17,20-21,23H,4-9,11,14-16H2,1-3H3
InChIKeyQDJRYVDHLQOPBX-UHFFFAOYSA-N
MW384.59 g/mol
LogP4.16
Rot. Bonds14

About N-[3-[4-[ethyl(heptyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide

N-[3-[4-[ethyl(heptyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide (PubChem CID 14891471) has the molecular formula C20H36N2O3S and a molecular weight of 384.59 g/mol. Its IUPAC name is N-[3-[4-[ethyl(heptyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[4-[ethyl(heptyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide
PubChem CID14891471
Molecular FormulaC20H36N2O3S
Molecular Weight384.59 g/mol
Exact Mass384.24
IUPAC NameN-[3-[4-[ethyl(heptyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide
SMILESCCCCCCCN(CC)CCCC(O)c1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C20H36N2O3S/c1-4-6-7-8-9-15-22(5-2)16-11-14-20(23)18-12-10-13-19(17-18)21-26(3,24)25/h10,12-13,17,20-21,23H,4-9,11,14-16H2,1-3H3
InChIKeyQDJRYVDHLQOPBX-UHFFFAOYSA-N
XLogP4.16
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.59
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(1S)-4-[7,7-difluoroheptyl(ethyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide
CID 10812091
1-[4-[decyl(ethyl)amino]-1-hydroxybutyl]-4-(sulfamoylamino)benzene
CID 70411210
N-[4-[4-[heptyl(methyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide
CID 14891458
N-[3-[(E)-4-[ethyl(heptyl)amino]but-2-enyl]phenyl]methanesulfonamide
CID 67915967
(E)-but-2-enedioic acid;N-[4-[4-[ethyl-[(6S)-6-fluoroheptyl]amino]-1-hydroxybutyl]phenyl]methanesulfonamide
CID 70301359
1-(3-methylsulfonylphenyl)heptan-1-ol
CID 115783497
1-(3-methylsulfonylphenyl)nonan-1-ol
CID 115784026
N'-ethyl-N'-heptyl-1-phenylbutane-1,4-diamine
CID 174264549
N-[4-[2-[ethyl(heptyl)amino]-1-hydroxyethyl]phenyl]ethanesulfonamide
CID 70412176
(2S)-N-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]-2-methylhexanamide
CID 100733908
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
N-[4-[4-[ethyl(heptyl)amino]butyl]phenyl]methanesulfonamide;4-methylbenzenesulfonic acid
CID 23316748

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[ethyl(heptyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[4-[ethyl(heptyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide (CID 14891471) is N-[3-[4-[ethyl(heptyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[4-[ethyl(heptyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[4-[ethyl(heptyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide is CCCCCCCN(CC)CCCC(O)c1cccc(NS(C)(=O)=O)c1.
What is the InChIKey of N-[3-[4-[ethyl(heptyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide?
The InChIKey is QDJRYVDHLQOPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2O3S/c1-4-6-7-8-9-15-22(5-2)16-11-14-20(23)18-12-10-13-19(17-18)21-26(3,24)25/h10,12-13,17,20-21,23H,4-9,11,14-16H2,1-3H3.
What are the key properties of N-[3-[4-[ethyl(heptyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide?
N-[3-[4-[ethyl(heptyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide has a molecular weight of 384.59 g/mol, XLogP of 4.16, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[ethyl(heptyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide is sourced from PubChem (CID 14891471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).