[6-(methanesulfonamido)-1,2,3,4-tetrahydronaphthalen-1-yl] N-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]carbamate

C23H31N3O5S — CID 22955808

IUPAC[6-(methanesulfonamido)-1,2,3,4-tetrahydronaphthalen-1-yl] N-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]carbamate
SMILESCCN(CCO)c1ccc(NC(=O)OC2CCCc3cc(NS(C)(=O)=O)ccc32)c(C)c1
InChIInChI=1S/C23H31N3O5S/c1-4-26(12-13-27)19-9-11-21(16(2)14-19)24-23(28)31-22-7-5-6-17-15-18(8-10-20(17)22)25-32(3,29)30/h8-11,14-15,22,25,27H,4-7,12-13H2,1-3H3,(H,24,28)
InChIKeyLMEUPFXZQQJAQH-UHFFFAOYSA-N
MW461.58 g/mol
LogP3.81
Rot. Bonds8

About [6-(methanesulfonamido)-1,2,3,4-tetrahydronaphthalen-1-yl] N-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]carbamate

[6-(methanesulfonamido)-1,2,3,4-tetrahydronaphthalen-1-yl] N-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]carbamate (PubChem CID 22955808) has the molecular formula C23H31N3O5S and a molecular weight of 461.58 g/mol. Its IUPAC name is [6-(methanesulfonamido)-1,2,3,4-tetrahydronaphthalen-1-yl] N-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]carbamate.

Molecular Properties

Compound Name[6-(methanesulfonamido)-1,2,3,4-tetrahydronaphthalen-1-yl] N-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]carbamate
PubChem CID22955808
Molecular FormulaC23H31N3O5S
Molecular Weight461.58 g/mol
Exact Mass461.20
IUPAC Name[6-(methanesulfonamido)-1,2,3,4-tetrahydronaphthalen-1-yl] N-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]carbamate
SMILESCCN(CCO)c1ccc(NC(=O)OC2CCCc3cc(NS(C)(=O)=O)ccc32)c(C)c1
InChIInChI=1S/C23H31N3O5S/c1-4-26(12-13-27)19-9-11-21(16(2)14-19)24-23(28)31-22-7-5-6-17-15-18(8-10-20(17)22)25-32(3,29)30/h8-11,14-15,22,25,27H,4-7,12-13H2,1-3H3,(H,24,28)
InChIKeyLMEUPFXZQQJAQH-UHFFFAOYSA-N
XLogP3.81
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.58
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-[4-(methanesulfonamido)phenyl]ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate
CID 22955785
methyl N-[4-(diethylamino)-2-methylphenyl]carbamate
CID 113098982
2-[2-[[4-[ethyl-[2-(methanesulfonamido)ethyl]amino]-2-methylphenyl]carbamoyloxy]ethylsulfonylmethylsulfonyl]ethyl N-[4-[ethyl-[2-(methanesulfonamido)ethyl]amino]-2-methylphenyl]carbamate
CID 22948506
N-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]-2-oxoheptadecanamide
CID 22957791
2-(2-hydroxyethylsulfonylmethylsulfonyl)ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate
CID 23399598
N-[4-(diethylamino)-2-methylphenyl]cyclohexanecarboxamide
CID 837088
(4-cyano-2,2-dioxo-3,4-dihydro-1H-isothiochromen-3-yl) N-[4-(diethylamino)-2-methylphenyl]carbamate
CID 22086028
(4-formyl-3-hydroxyphenyl)methyl N-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]carbamate
CID 22095176
(4-formylphenyl)methyl N-[4-[ethyl-[2-(methanesulfonamido)ethyl]amino]-2-methylphenyl]carbamate
CID 22095187
[4-(1,3-dioxolan-2-yl)-3-(methoxymethoxy)phenyl]methyl N-[4-[ethyl-[2-(methanesulfonamido)ethyl]amino]-2-methylphenyl]carbamate
CID 22095153
2-(cyclopropylamino)-N-[4-(diethylamino)-2-methylphenyl]acetamide
CID 108992892
(2S)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]pyrrolidine-2-carboxamide
CID 61178516

Frequently Asked Questions

What is the IUPAC name of [6-(methanesulfonamido)-1,2,3,4-tetrahydronaphthalen-1-yl] N-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]carbamate?
The IUPAC name of [6-(methanesulfonamido)-1,2,3,4-tetrahydronaphthalen-1-yl] N-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]carbamate (CID 22955808) is [6-(methanesulfonamido)-1,2,3,4-tetrahydronaphthalen-1-yl] N-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]carbamate.
What is the SMILES notation for [6-(methanesulfonamido)-1,2,3,4-tetrahydronaphthalen-1-yl] N-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]carbamate?
The canonical SMILES for [6-(methanesulfonamido)-1,2,3,4-tetrahydronaphthalen-1-yl] N-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]carbamate is CCN(CCO)c1ccc(NC(=O)OC2CCCc3cc(NS(C)(=O)=O)ccc32)c(C)c1.
What is the InChIKey of [6-(methanesulfonamido)-1,2,3,4-tetrahydronaphthalen-1-yl] N-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]carbamate?
The InChIKey is LMEUPFXZQQJAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O5S/c1-4-26(12-13-27)19-9-11-21(16(2)14-19)24-23(28)31-22-7-5-6-17-15-18(8-10-20(17)22)25-32(3,29)30/h8-11,14-15,22,25,27H,4-7,12-13H2,1-3H3,(H,24,28).
What are the key properties of [6-(methanesulfonamido)-1,2,3,4-tetrahydronaphthalen-1-yl] N-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]carbamate?
[6-(methanesulfonamido)-1,2,3,4-tetrahydronaphthalen-1-yl] N-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]carbamate has a molecular weight of 461.58 g/mol, XLogP of 3.81, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(methanesulfonamido)-1,2,3,4-tetrahydronaphthalen-1-yl] N-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]carbamate is sourced from PubChem (CID 22955808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).