N-[5-[[5-(dimethylamino)naphthalen-1-yl]sulfanylamino]pentyl]-9-ethylcarbazole-3-carboxamide;ethane

C36H48N4OS — CID 142022873

IUPACN-[5-[[5-(dimethylamino)naphthalen-1-yl]sulfanylamino]pentyl]-9-ethylcarbazole-3-carboxamide;ethane
SMILESCC.CC.CCn1c2ccccc2c2cc(C(=O)NCCCCCNSc3cccc4c(N(C)C)cccc34)ccc21
InChIInChI=1S/C32H36N4OS.2C2H6/c1-4-36-29-15-7-6-12-25(29)27-22-23(18-19-30(27)36)32(37)33-20-8-5-9-21-34-38-31-17-11-13-24-26(31)14-10-16-28(24)35(2)3;2*1-2/h6-7,10-19,22,34H,4-5,8-9,20-21H2,1-3H3,(H,33,37);2*1-2H3
InChIKeyNYPSOERKTYZNQX-UHFFFAOYSA-N
MW584.87 g/mol
LogP9.28
Rot. Bonds11

About N-[5-[[5-(dimethylamino)naphthalen-1-yl]sulfanylamino]pentyl]-9-ethylcarbazole-3-carboxamide;ethane

N-[5-[[5-(dimethylamino)naphthalen-1-yl]sulfanylamino]pentyl]-9-ethylcarbazole-3-carboxamide;ethane (PubChem CID 142022873) has the molecular formula C36H48N4OS and a molecular weight of 584.87 g/mol. Its IUPAC name is N-[5-[[5-(dimethylamino)naphthalen-1-yl]sulfanylamino]pentyl]-9-ethylcarbazole-3-carboxamide;ethane.

Molecular Properties

Compound NameN-[5-[[5-(dimethylamino)naphthalen-1-yl]sulfanylamino]pentyl]-9-ethylcarbazole-3-carboxamide;ethane
PubChem CID142022873
Molecular FormulaC36H48N4OS
Molecular Weight584.87 g/mol
Exact Mass584.35
IUPAC NameN-[5-[[5-(dimethylamino)naphthalen-1-yl]sulfanylamino]pentyl]-9-ethylcarbazole-3-carboxamide;ethane
SMILESCC.CC.CCn1c2ccccc2c2cc(C(=O)NCCCCCNSc3cccc4c(N(C)C)cccc34)ccc21
InChIInChI=1S/C32H36N4OS.2C2H6/c1-4-36-29-15-7-6-12-25(29)27-22-23(18-19-30(27)36)32(37)33-20-8-5-9-21-34-38-31-17-11-13-24-26(31)14-10-16-28(24)35(2)3;2*1-2/h6-7,10-19,22,34H,4-5,8-9,20-21H2,1-3H3,(H,33,37);2*1-2H3
InChIKeyNYPSOERKTYZNQX-UHFFFAOYSA-N
XLogP9.28
TPSA49.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.87
LogP ≤ 59.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

9-ethyl-N-[5-(octylsulfanylamino)pentyl]carbazole-3-carboxamide
CID 142022919
9-ethyl-N,N-dimethylcarbazole-3-carboxamide
CID 163964567
N-[5-[(2,3-dimethylphenyl)sulfanylamino]pentyl]-4-methyl-3-(2-methylphenyl)benzamide
CID 142022917
9-ethylcarbazole-3-carboxylic acid
CID 4912869
9-propan-2-yl-N-propylcarbazole-3-carboxamide
CID 69163395
9-ethylcarbazole-3-carboxylate
CID 7148416
2-[4-amino-1-[4-[[5-(dimethylamino)naphthalen-1-yl]sulfanylamino]butyl]imidazo[4,5-c]quinolin-2-yl]ethanol
CID 142033120
9-ethyl-3-[(E)-2-(9-ethylcarbazol-3-yl)-1,2-diphenylethenyl]carbazole
CID 102220131
3-(dimethylsulfamoyl)-N-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]benzamide
CID 35508229
2-[3-[3-[[1-cyclohexyl-2-[4-[2-[[5-(dimethylamino)naphthalen-1-yl]sulfanylamino]ethylcarbamoyl]phenyl]benzimidazole-5-carbonyl]amino]propyl]-4-(ethenylamino)phenoxy]acetic acid
CID 142211146
2-acetamido-3-(9-ethylcarbazol-3-yl)sulfanyl-N-heptylpropanamide
CID 4286433
N-[4-[(9-ethylcarbazol-3-yl)amino]-4-oxobutyl]thiophene-3-carboxamide
CID 26702247

Frequently Asked Questions

What is the IUPAC name of N-[5-[[5-(dimethylamino)naphthalen-1-yl]sulfanylamino]pentyl]-9-ethylcarbazole-3-carboxamide;ethane?
The IUPAC name of N-[5-[[5-(dimethylamino)naphthalen-1-yl]sulfanylamino]pentyl]-9-ethylcarbazole-3-carboxamide;ethane (CID 142022873) is N-[5-[[5-(dimethylamino)naphthalen-1-yl]sulfanylamino]pentyl]-9-ethylcarbazole-3-carboxamide;ethane.
What is the SMILES notation for N-[5-[[5-(dimethylamino)naphthalen-1-yl]sulfanylamino]pentyl]-9-ethylcarbazole-3-carboxamide;ethane?
The canonical SMILES for N-[5-[[5-(dimethylamino)naphthalen-1-yl]sulfanylamino]pentyl]-9-ethylcarbazole-3-carboxamide;ethane is CC.CC.CCn1c2ccccc2c2cc(C(=O)NCCCCCNSc3cccc4c(N(C)C)cccc34)ccc21.
What is the InChIKey of N-[5-[[5-(dimethylamino)naphthalen-1-yl]sulfanylamino]pentyl]-9-ethylcarbazole-3-carboxamide;ethane?
The InChIKey is NYPSOERKTYZNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N4OS.2C2H6/c1-4-36-29-15-7-6-12-25(29)27-22-23(18-19-30(27)36)32(37)33-20-8-5-9-21-34-38-31-17-11-13-24-26(31)14-10-16-28(24)35(2)3;2*1-2/h6-7,10-19,22,34H,4-5,8-9,20-21H2,1-3H3,(H,33,37);2*1-2H3.
What are the key properties of N-[5-[[5-(dimethylamino)naphthalen-1-yl]sulfanylamino]pentyl]-9-ethylcarbazole-3-carboxamide;ethane?
N-[5-[[5-(dimethylamino)naphthalen-1-yl]sulfanylamino]pentyl]-9-ethylcarbazole-3-carboxamide;ethane has a molecular weight of 584.87 g/mol, XLogP of 9.28, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[5-(dimethylamino)naphthalen-1-yl]sulfanylamino]pentyl]-9-ethylcarbazole-3-carboxamide;ethane is sourced from PubChem (CID 142022873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).