(1R)-N-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide

C27H38N4O3S — CID 95298708

IUPAC(1R)-N-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCCN1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2NC(=O)[C@@H]2CCCc3ccccc32)CC1
InChIInChI=1S/C27H38N4O3S/c1-4-29-16-18-30(19-17-29)26-15-14-22(35(33,34)31(5-2)6-3)20-25(26)28-27(32)24-13-9-11-21-10-7-8-12-23(21)24/h7-8,10,12,14-15,20,24H,4-6,9,11,13,16-19H2,1-3H3,(H,28,32)/t24-/m1/s1
InChIKeyHKYPPWLONHDMGZ-XMMPIXPASA-N
MW498.69 g/mol
LogP3.92
Rot. Bonds8

About (1R)-N-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide

(1R)-N-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 95298708) has the molecular formula C27H38N4O3S and a molecular weight of 498.69 g/mol. Its IUPAC name is (1R)-N-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
PubChem CID95298708
Molecular FormulaC27H38N4O3S
Molecular Weight498.69 g/mol
Exact Mass498.27
IUPAC Name(1R)-N-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCCN1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2NC(=O)[C@@H]2CCCc3ccccc32)CC1
InChIInChI=1S/C27H38N4O3S/c1-4-29-16-18-30(19-17-29)26-15-14-22(35(33,34)31(5-2)6-3)20-25(26)28-27(32)24-13-9-11-21-10-7-8-12-23(21)24/h7-8,10,12,14-15,20,24H,4-6,9,11,13,16-19H2,1-3H3,(H,28,32)/t24-/m1/s1
InChIKeyHKYPPWLONHDMGZ-XMMPIXPASA-N
XLogP3.92
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.69
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R)-N-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of (1R)-N-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 95298708) is (1R)-N-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for (1R)-N-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for (1R)-N-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide is CCN1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2NC(=O)[C@@H]2CCCc3ccccc32)CC1.
What is the InChIKey of (1R)-N-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The InChIKey is HKYPPWLONHDMGZ-XMMPIXPASA-N. The full InChI is InChI=1S/C27H38N4O3S/c1-4-29-16-18-30(19-17-29)26-15-14-22(35(33,34)31(5-2)6-3)20-25(26)28-27(32)24-13-9-11-21-10-7-8-12-23(21)24/h7-8,10,12,14-15,20,24H,4-6,9,11,13,16-19H2,1-3H3,(H,28,32)/t24-/m1/s1.
What are the key properties of (1R)-N-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
(1R)-N-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 498.69 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 95298708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).