(1S)-N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide

C25H33N3O4S — CID 39982639

IUPAC(1S)-N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)[C@H]2CCCc3ccccc32)c1
InChIInChI=1S/C25H33N3O4S/c1-3-28(4-2)33(30,31)20-12-13-24(27-14-16-32-17-15-27)23(18-20)26-25(29)22-11-7-9-19-8-5-6-10-21(19)22/h5-6,8,10,12-13,18,22H,3-4,7,9,11,14-17H2,1-2H3,(H,26,29)/t22-/m0/s1
InChIKeyLDPHCPQVCMTPFW-QFIPXVFZSA-N
MW471.62 g/mol
LogP3.61
Rot. Bonds7

About (1S)-N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide

(1S)-N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 39982639) has the molecular formula C25H33N3O4S and a molecular weight of 471.62 g/mol. Its IUPAC name is (1S)-N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound Name(1S)-N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
PubChem CID39982639
Molecular FormulaC25H33N3O4S
Molecular Weight471.62 g/mol
Exact Mass471.22
IUPAC Name(1S)-N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)[C@H]2CCCc3ccccc32)c1
InChIInChI=1S/C25H33N3O4S/c1-3-28(4-2)33(30,31)20-12-13-24(27-14-16-32-17-15-27)23(18-20)26-25(29)22-11-7-9-19-8-5-6-10-21(19)22/h5-6,8,10,12-13,18,22H,3-4,7,9,11,14-17H2,1-2H3,(H,26,29)/t22-/m0/s1
InChIKeyLDPHCPQVCMTPFW-QFIPXVFZSA-N
XLogP3.61
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.62
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S)-N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of (1S)-N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 39982639) is (1S)-N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for (1S)-N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for (1S)-N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide is CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)[C@H]2CCCc3ccccc32)c1.
What is the InChIKey of (1S)-N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The InChIKey is LDPHCPQVCMTPFW-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H33N3O4S/c1-3-28(4-2)33(30,31)20-12-13-24(27-14-16-32-17-15-27)23(18-20)26-25(29)22-11-7-9-19-8-5-6-10-21(19)22/h5-6,8,10,12-13,18,22H,3-4,7,9,11,14-17H2,1-2H3,(H,26,29)/t22-/m0/s1.
What are the key properties of (1S)-N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
(1S)-N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 471.62 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 39982639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).