N,3-dimethyl-N-propan-2-yl-1-benzothiophene-2-carboxamide

C14H17NOS — CID 78844061

IUPACN,3-dimethyl-N-propan-2-yl-1-benzothiophene-2-carboxamide
SMILESCc1c(C(=O)N(C)C(C)C)sc2ccccc12
InChIInChI=1S/C14H17NOS/c1-9(2)15(4)14(16)13-10(3)11-7-5-6-8-12(11)17-13/h5-9H,1-4H3
InChIKeyWANLHMKAAJBIPW-UHFFFAOYSA-N
MW247.36 g/mol
LogP3.69
Rot. Bonds2

About N,3-dimethyl-N-propan-2-yl-1-benzothiophene-2-carboxamide

N,3-dimethyl-N-propan-2-yl-1-benzothiophene-2-carboxamide (PubChem CID 78844061) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is N,3-dimethyl-N-propan-2-yl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-N-propan-2-yl-1-benzothiophene-2-carboxamide
PubChem CID78844061
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC NameN,3-dimethyl-N-propan-2-yl-1-benzothiophene-2-carboxamide
SMILESCc1c(C(=O)N(C)C(C)C)sc2ccccc12
InChIInChI=1S/C14H17NOS/c1-9(2)15(4)14(16)13-10(3)11-7-5-6-8-12(11)17-13/h5-9H,1-4H3
InChIKeyWANLHMKAAJBIPW-UHFFFAOYSA-N
XLogP3.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(1,3-benzothiazol-2-yl)ethyl]-N,3-dimethyl-1-benzothiophene-2-carboxamide
CID 24503789
2-[methyl-(3-methyl-1-benzothiophene-2-carbonyl)amino]acetic acid
CID 43241821
2-[butan-2-yl-(3-methyl-1-benzothiophene-2-carbonyl)amino]acetic acid
CID 60830090
N-[2-[di(propan-2-yl)amino]ethyl]-3-methyl-1-benzothiophene-2-carboxamide
CID 18160860
N,3-dimethyl-N-(2-phenoxyethyl)-1-benzothiophene-2-carboxamide
CID 18113160
3-methyl-4-[(3-methyl-1-benzothiophene-2-carbonyl)amino]butanoic acid
CID 81064657
[1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 3-methyl-1-benzothiophene-2-carboxylate
CID 55426584
chloro 3-methyl-1-benzothiophene-2-carboxylate
CID 54436811
2-[cyclopropylmethyl-(3-methyl-1-benzothiophene-2-carbonyl)amino]acetic acid
CID 43655509
N-[2-(2-fluorophenoxy)ethyl]-N,3-dimethyl-1-benzothiophene-2-carboxamide
CID 18120040
N-(1-aminopropan-2-yl)-5-methoxy-N,3-dimethyl-1-benzothiophene-2-carboxamide
CID 119583657
3-methyl-N-[3-(methylamino)-3-oxopropyl]-1-benzothiophene-2-carboxamide
CID 47068455

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-propan-2-yl-1-benzothiophene-2-carboxamide?
The IUPAC name of N,3-dimethyl-N-propan-2-yl-1-benzothiophene-2-carboxamide (CID 78844061) is N,3-dimethyl-N-propan-2-yl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N,3-dimethyl-N-propan-2-yl-1-benzothiophene-2-carboxamide?
The canonical SMILES for N,3-dimethyl-N-propan-2-yl-1-benzothiophene-2-carboxamide is Cc1c(C(=O)N(C)C(C)C)sc2ccccc12.
What is the InChIKey of N,3-dimethyl-N-propan-2-yl-1-benzothiophene-2-carboxamide?
The InChIKey is WANLHMKAAJBIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c1-9(2)15(4)14(16)13-10(3)11-7-5-6-8-12(11)17-13/h5-9H,1-4H3.
What are the key properties of N,3-dimethyl-N-propan-2-yl-1-benzothiophene-2-carboxamide?
N,3-dimethyl-N-propan-2-yl-1-benzothiophene-2-carboxamide has a molecular weight of 247.36 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-propan-2-yl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 78844061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).