ethane;9-ethoxy-5-ethyl-3,4-dihydro-1H-thiopyrano[4,3-b]indole-1-carboxamide

C18H26N2O2S — CID 91024614

IUPACethane;9-ethoxy-5-ethyl-3,4-dihydro-1H-thiopyrano[4,3-b]indole-1-carboxamide
SMILESCC.CCOc1cccc2c1c1c(n2CC)CCSC1C(N)=O
InChIInChI=1S/C16H20N2O2S.C2H6/c1-3-18-10-6-5-7-12(20-4-2)13(10)14-11(18)8-9-21-15(14)16(17)19;1-2/h5-7,15H,3-4,8-9H2,1-2H3,(H2,17,19);1-2H3
InChIKeyPQAWHPPFRWYKRZ-UHFFFAOYSA-N
MW334.49 g/mol
LogP3.90
Rot. Bonds4

About ethane;9-ethoxy-5-ethyl-3,4-dihydro-1H-thiopyrano[4,3-b]indole-1-carboxamide

ethane;9-ethoxy-5-ethyl-3,4-dihydro-1H-thiopyrano[4,3-b]indole-1-carboxamide (PubChem CID 91024614) has the molecular formula C18H26N2O2S and a molecular weight of 334.49 g/mol. Its IUPAC name is ethane;9-ethoxy-5-ethyl-3,4-dihydro-1H-thiopyrano[4,3-b]indole-1-carboxamide.

Molecular Properties

Compound Nameethane;9-ethoxy-5-ethyl-3,4-dihydro-1H-thiopyrano[4,3-b]indole-1-carboxamide
PubChem CID91024614
Molecular FormulaC18H26N2O2S
Molecular Weight334.49 g/mol
Exact Mass334.17
IUPAC Nameethane;9-ethoxy-5-ethyl-3,4-dihydro-1H-thiopyrano[4,3-b]indole-1-carboxamide
SMILESCC.CCOc1cccc2c1c1c(n2CC)CCSC1C(N)=O
InChIInChI=1S/C16H20N2O2S.C2H6/c1-3-18-10-6-5-7-12(20-4-2)13(10)14-11(18)8-9-21-15(14)16(17)19;1-2/h5-7,15H,3-4,8-9H2,1-2H3,(H2,17,19);1-2H3
InChIKeyPQAWHPPFRWYKRZ-UHFFFAOYSA-N
XLogP3.90
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(1R)-5-benzyl-1-carbamoyl-3,4-dihydro-1H-thiopyrano[4,3-b]indol-9-yl]oxy]acetic acid
CID 87162813
ethane;5-ethoxy-9-ethylcarbazole-4-carboxamide
CID 91519432
2-[[(1R)-5-benzyl-1-carbamoyl-4-oxo-1H-thiopyrano[4,3-b]indol-9-yl]oxy]acetic acid
CID 87162725
2,5-diethyl-3,4-dihydro-1H-pyrido[4,3-b]indole-1-carboxamide
CID 59934224
methyl 2-[[1-carbamoyl-4-[(3,5-dimethylphenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]indol-8-yl]oxy]acetate
CID 91059457
methyl 2-[[1-carbamoyl-4-(naphthalen-1-ylmethyl)-2,3-dihydro-1H-cyclopenta[b]indol-8-yl]oxy]acetate
CID 91380616
methyl 2-[[1-carbamoyl-4-[(4-phenylphenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]indol-8-yl]oxy]acetate
CID 91493114
methyl 2-[[10-carbamoyl-5-[(4-cyanophenyl)methyl]-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-1-yl]oxy]acetate
CID 91458482
5-ethyl-9-methoxy-1-methyl-1H-thiopyrano[4,3-b]indol-4-one
CID 59934222
methyl 2-[[10-carbamoyl-5-[(4-methoxyphenyl)methyl]-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-1-yl]oxy]acetate
CID 90866602
2-[[1-carbamoyl-4-[(2-cyclopropylphenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]indol-8-yl]oxy]acetic acid
CID 21074259
2-[[1-carbamoyl-4-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]indol-8-yl]oxy]acetic acid
CID 10271234

Frequently Asked Questions

What is the IUPAC name of ethane;9-ethoxy-5-ethyl-3,4-dihydro-1H-thiopyrano[4,3-b]indole-1-carboxamide?
The IUPAC name of ethane;9-ethoxy-5-ethyl-3,4-dihydro-1H-thiopyrano[4,3-b]indole-1-carboxamide (CID 91024614) is ethane;9-ethoxy-5-ethyl-3,4-dihydro-1H-thiopyrano[4,3-b]indole-1-carboxamide.
What is the SMILES notation for ethane;9-ethoxy-5-ethyl-3,4-dihydro-1H-thiopyrano[4,3-b]indole-1-carboxamide?
The canonical SMILES for ethane;9-ethoxy-5-ethyl-3,4-dihydro-1H-thiopyrano[4,3-b]indole-1-carboxamide is CC.CCOc1cccc2c1c1c(n2CC)CCSC1C(N)=O.
What is the InChIKey of ethane;9-ethoxy-5-ethyl-3,4-dihydro-1H-thiopyrano[4,3-b]indole-1-carboxamide?
The InChIKey is PQAWHPPFRWYKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S.C2H6/c1-3-18-10-6-5-7-12(20-4-2)13(10)14-11(18)8-9-21-15(14)16(17)19;1-2/h5-7,15H,3-4,8-9H2,1-2H3,(H2,17,19);1-2H3.
What are the key properties of ethane;9-ethoxy-5-ethyl-3,4-dihydro-1H-thiopyrano[4,3-b]indole-1-carboxamide?
ethane;9-ethoxy-5-ethyl-3,4-dihydro-1H-thiopyrano[4,3-b]indole-1-carboxamide has a molecular weight of 334.49 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;9-ethoxy-5-ethyl-3,4-dihydro-1H-thiopyrano[4,3-b]indole-1-carboxamide is sourced from PubChem (CID 91024614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).