N,N-diethyl-5-(prop-1-en-2-ylamino)-1-benzothiophene-2-carboxamide

C16H20N2OS — CID 129236873

IUPACN,N-diethyl-5-(prop-1-en-2-ylamino)-1-benzothiophene-2-carboxamide
SMILESC=C(C)Nc1ccc2sc(C(=O)N(CC)CC)cc2c1
InChIInChI=1S/C16H20N2OS/c1-5-18(6-2)16(19)15-10-12-9-13(17-11(3)4)7-8-14(12)20-15/h7-10,17H,3,5-6H2,1-2,4H3
InChIKeyPAFZHWXVZGNOJT-UHFFFAOYSA-N
MW288.42 g/mol
LogP4.33
Rot. Bonds5

About N,N-diethyl-5-(prop-1-en-2-ylamino)-1-benzothiophene-2-carboxamide

N,N-diethyl-5-(prop-1-en-2-ylamino)-1-benzothiophene-2-carboxamide (PubChem CID 129236873) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is N,N-diethyl-5-(prop-1-en-2-ylamino)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-5-(prop-1-en-2-ylamino)-1-benzothiophene-2-carboxamide
PubChem CID129236873
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC NameN,N-diethyl-5-(prop-1-en-2-ylamino)-1-benzothiophene-2-carboxamide
SMILESC=C(C)Nc1ccc2sc(C(=O)N(CC)CC)cc2c1
InChIInChI=1S/C16H20N2OS/c1-5-18(6-2)16(19)15-10-12-9-13(17-11(3)4)7-8-14(12)20-15/h7-10,17H,3,5-6H2,1-2,4H3
InChIKeyPAFZHWXVZGNOJT-UHFFFAOYSA-N
XLogP4.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[2-(diethylcarbamoyl)-1-benzothiophen-5-yl]-1-methylpyrrole-2-carboxamide
CID 129237209
N,N-dimethyl-5-(methylamino)-1-benzothiophene-2-carboxamide
CID 145325649
5-[(2-cyanoacetyl)amino]-N,N-dimethyl-1-benzothiophene-2-carboxamide
CID 168521294
N,N-diethyl-6-fluoro-1-benzothiophene-2-carboxamide
CID 78911895
5-amino-N-(cyclopropylmethyl)-N-ethyl-1-benzothiophene-2-carboxamide
CID 63954077
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-5-nitro-1-benzothiophene-2-carboxamide
CID 25314718
N,N-bis(prop-2-enyl)-1-benzothiophene-2-carboxamide
CID 78804826
5-(2,3-dihydroxypropylamino)-N,N-dimethyl-1-benzothiophene-2-carboxamide
CID 168597134
ethyl 5-(3-aminopropanoylamino)-1-benzothiophene-2-carboxylate
CID 119281383
N-[2-(aminomethyl)-1-benzothiophen-5-yl]acetamide
CID 119087583
methyl 5-[(5-amino-1-benzothiophene-2-carbonyl)amino]-1-benzothiophene-2-carboxylate
CID 155017798
N-methyl-5-prop-1-en-2-yl-1-benzothiophene-2-carboxamide
CID 143033342

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-(prop-1-en-2-ylamino)-1-benzothiophene-2-carboxamide?
The IUPAC name of N,N-diethyl-5-(prop-1-en-2-ylamino)-1-benzothiophene-2-carboxamide (CID 129236873) is N,N-diethyl-5-(prop-1-en-2-ylamino)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N,N-diethyl-5-(prop-1-en-2-ylamino)-1-benzothiophene-2-carboxamide?
The canonical SMILES for N,N-diethyl-5-(prop-1-en-2-ylamino)-1-benzothiophene-2-carboxamide is C=C(C)Nc1ccc2sc(C(=O)N(CC)CC)cc2c1.
What is the InChIKey of N,N-diethyl-5-(prop-1-en-2-ylamino)-1-benzothiophene-2-carboxamide?
The InChIKey is PAFZHWXVZGNOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-5-18(6-2)16(19)15-10-12-9-13(17-11(3)4)7-8-14(12)20-15/h7-10,17H,3,5-6H2,1-2,4H3.
What are the key properties of N,N-diethyl-5-(prop-1-en-2-ylamino)-1-benzothiophene-2-carboxamide?
N,N-diethyl-5-(prop-1-en-2-ylamino)-1-benzothiophene-2-carboxamide has a molecular weight of 288.42 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-(prop-1-en-2-ylamino)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 129236873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).