N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide

C21H26N2O4S — CID 9470148

IUPACN-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccc3c(c2)CCCC3)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C21H26N2O4S/c1-4-27-19-12-11-18(14-20(19)28(25,26)23(2)3)22-21(24)17-10-9-15-7-5-6-8-16(15)13-17/h9-14H,4-8H2,1-3H3,(H,22,24)
InChIKeyOQARYHBEQDSCBQ-UHFFFAOYSA-N
MW402.52 g/mol
LogP3.47
Rot. Bonds6

About N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide

N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (PubChem CID 9470148) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
PubChem CID9470148
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC NameN-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccc3c(c2)CCCC3)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C21H26N2O4S/c1-4-27-19-12-11-18(14-20(19)28(25,26)23(2)3)22-21(24)17-10-9-15-7-5-6-8-16(15)13-17/h9-14H,4-8H2,1-3H3,(H,22,24)
InChIKeyOQARYHBEQDSCBQ-UHFFFAOYSA-N
XLogP3.47
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide
CID 34072393
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3,5-dimethylbenzamide
CID 26421618
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-4-(trifluoromethyl)benzamide
CID 9470026
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-4-propan-2-ylbenzamide
CID 9470040
4-[(carbamoylamino)methyl]-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]benzamide
CID 31743702
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-4-(1,3-dithian-2-yl)benzamide
CID 26421884
N-[4-(dimethylsulfamoyl)phenyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 9011603
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3,4-dimethoxybenzamide
CID 9106584
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]cyclopropanecarboxamide
CID 9470209
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-ethoxybenzamide
CID 3635933
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 30838314
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2-(methylamino)acetamide
CID 119693183

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (CID 9470148) is N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is CCOc1ccc(NC(=O)c2ccc3c(c2)CCCC3)cc1S(=O)(=O)N(C)C.
What is the InChIKey of N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The InChIKey is OQARYHBEQDSCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-4-27-19-12-11-18(14-20(19)28(25,26)23(2)3)22-21(24)17-10-9-15-7-5-6-8-16(15)13-17/h9-14H,4-8H2,1-3H3,(H,22,24).
What are the key properties of N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide has a molecular weight of 402.52 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 9470148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).