N-[2-(cyclohexylamino)ethyl]-3,5-dimethoxy-1-benzothiophene-2-carboxamide

C19H26N2O3S — CID 19008807

IUPACN-[2-(cyclohexylamino)ethyl]-3,5-dimethoxy-1-benzothiophene-2-carboxamide
SMILESCOc1ccc2sc(C(=O)NCCNC3CCCCC3)c(OC)c2c1
InChIInChI=1S/C19H26N2O3S/c1-23-14-8-9-16-15(12-14)17(24-2)18(25-16)19(22)21-11-10-20-13-6-4-3-5-7-13/h8-9,12-13,20H,3-7,10-11H2,1-2H3,(H,21,22)
InChIKeyGDNFDZRGTBAAMY-UHFFFAOYSA-N
MW362.50 g/mol
LogP3.57
Rot. Bonds7

About N-[2-(cyclohexylamino)ethyl]-3,5-dimethoxy-1-benzothiophene-2-carboxamide

N-[2-(cyclohexylamino)ethyl]-3,5-dimethoxy-1-benzothiophene-2-carboxamide (PubChem CID 19008807) has the molecular formula C19H26N2O3S and a molecular weight of 362.50 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)ethyl]-3,5-dimethoxy-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)ethyl]-3,5-dimethoxy-1-benzothiophene-2-carboxamide
PubChem CID19008807
Molecular FormulaC19H26N2O3S
Molecular Weight362.50 g/mol
Exact Mass362.17
IUPAC NameN-[2-(cyclohexylamino)ethyl]-3,5-dimethoxy-1-benzothiophene-2-carboxamide
SMILESCOc1ccc2sc(C(=O)NCCNC3CCCCC3)c(OC)c2c1
InChIInChI=1S/C19H26N2O3S/c1-23-14-8-9-16-15(12-14)17(24-2)18(25-16)19(22)21-11-10-20-13-6-4-3-5-7-13/h8-9,12-13,20H,3-7,10-11H2,1-2H3,(H,21,22)
InChIKeyGDNFDZRGTBAAMY-UHFFFAOYSA-N
XLogP3.57
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dicyclohexylmethylamino)ethyl]-3-methoxy-1-benzothiophene-2-carboxamide
CID 19008819
N-[4-[2-(cyclohexylamino)ethylamino]butyl]-5-methoxy-1-benzothiophene-2-carboxamide
CID 139937755
5-methoxy-3-methyl-N-[2-(methylamino)ethyl]-1-benzothiophene-2-carboxamide
CID 119502573
N-[2-(cycloheptylamino)ethyl]-2-(3-methoxyphenyl)acetamide
CID 119619150
5-chloro-N-[2-[(2R)-2-ethylpiperidin-1-yl]ethyl]-3-methoxy-1-benzothiophene-2-carboxamide
CID 95058286
3-chloro-N-cyclohexyl-6-methoxy-1-benzothiophene-2-carboxamide
CID 675724
N-[2-(cycloheptylamino)ethyl]-4-(3-methoxypropoxy)benzamide
CID 119620313
N-[2-(cycloheptylamino)ethyl]-2-methoxybenzamide
CID 81487134
3-chloro-5-methoxy-N-pentyl-1-benzothiophene-2-carboxamide
CID 19225565
5-methoxy-3-methyl-N-(pyrrolidin-2-ylmethyl)-1-benzothiophene-2-carboxamide
CID 119512740
N-[2-(cycloheptylamino)ethyl]-2-fluoro-6-methoxybenzamide
CID 119619869
3-amino-N-(cyclopentylmethyl)-6-methoxy-1-benzothiophene-2-carboxamide
CID 81300971

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylamino)ethyl]-3,5-dimethoxy-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[2-(cyclohexylamino)ethyl]-3,5-dimethoxy-1-benzothiophene-2-carboxamide (CID 19008807) is N-[2-(cyclohexylamino)ethyl]-3,5-dimethoxy-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[2-(cyclohexylamino)ethyl]-3,5-dimethoxy-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[2-(cyclohexylamino)ethyl]-3,5-dimethoxy-1-benzothiophene-2-carboxamide is COc1ccc2sc(C(=O)NCCNC3CCCCC3)c(OC)c2c1.
What is the InChIKey of N-[2-(cyclohexylamino)ethyl]-3,5-dimethoxy-1-benzothiophene-2-carboxamide?
The InChIKey is GDNFDZRGTBAAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3S/c1-23-14-8-9-16-15(12-14)17(24-2)18(25-16)19(22)21-11-10-20-13-6-4-3-5-7-13/h8-9,12-13,20H,3-7,10-11H2,1-2H3,(H,21,22).
What are the key properties of N-[2-(cyclohexylamino)ethyl]-3,5-dimethoxy-1-benzothiophene-2-carboxamide?
N-[2-(cyclohexylamino)ethyl]-3,5-dimethoxy-1-benzothiophene-2-carboxamide has a molecular weight of 362.50 g/mol, XLogP of 3.57, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylamino)ethyl]-3,5-dimethoxy-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 19008807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).