N,N-di(propan-2-yl)thiophene-3-carboxamide

C11H17NOS — CID 50896326

IUPACN,N-di(propan-2-yl)thiophene-3-carboxamide
SMILESCC(C)N(C(=O)c1ccsc1)C(C)C
InChIInChI=1S/C11H17NOS/c1-8(2)12(9(3)4)11(13)10-5-6-14-7-10/h5-9H,1-4H3
InChIKeyWRMXBAJYIUTTCG-UHFFFAOYSA-N
MW211.33 g/mol
LogP3.01
Rot. Bonds3

About N,N-di(propan-2-yl)thiophene-3-carboxamide

N,N-di(propan-2-yl)thiophene-3-carboxamide (PubChem CID 50896326) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is N,N-di(propan-2-yl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN,N-di(propan-2-yl)thiophene-3-carboxamide
PubChem CID50896326
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC NameN,N-di(propan-2-yl)thiophene-3-carboxamide
SMILESCC(C)N(C(=O)c1ccsc1)C(C)C
InChIInChI=1S/C11H17NOS/c1-8(2)12(9(3)4)11(13)10-5-6-14-7-10/h5-9H,1-4H3
InChIKeyWRMXBAJYIUTTCG-UHFFFAOYSA-N
XLogP3.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-hydroxybutyl)-N-methylthiophene-3-carboxamide
CID 111695384
2-cyclopropyl-1-thiophen-3-ylpropan-1-one
CID 114975207
3-propan-2-yl-4-thiophen-3-ylpent-3-en-2-one
CID 123751253
(4-propan-2-ylphenyl)-thiophen-3-ylmethanone
CID 43625096
3-amino-2-methyl-1-thiophen-3-ylpropan-1-one
CID 116564427
3,5,5-trimethyl-1-thiophen-3-ylhexan-1-one
CID 114975180
2-methyl-4-oxo-4-thiophen-3-ylbutanoic acid
CID 20529994
N'-(2-hydroxypropanoyl)thiophene-3-carbohydrazide
CID 140739614
2-hydroxy-2-methyl-1-thiophen-3-ylbutan-1-one
CID 103446763
1-N-methyl-4-N,4-N-di(propan-2-yl)benzene-1,4-dicarboxamide
CID 793999
N-(2-hydroxy-2,4-dimethylpentyl)thiophene-3-carboxamide
CID 66179515
N-ethyl-N-prop-2-ynylthiophene-3-carboxamide
CID 78970586

Frequently Asked Questions

What is the IUPAC name of N,N-di(propan-2-yl)thiophene-3-carboxamide?
The IUPAC name of N,N-di(propan-2-yl)thiophene-3-carboxamide (CID 50896326) is N,N-di(propan-2-yl)thiophene-3-carboxamide.
What is the SMILES notation for N,N-di(propan-2-yl)thiophene-3-carboxamide?
The canonical SMILES for N,N-di(propan-2-yl)thiophene-3-carboxamide is CC(C)N(C(=O)c1ccsc1)C(C)C.
What is the InChIKey of N,N-di(propan-2-yl)thiophene-3-carboxamide?
The InChIKey is WRMXBAJYIUTTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-8(2)12(9(3)4)11(13)10-5-6-14-7-10/h5-9H,1-4H3.
What are the key properties of N,N-di(propan-2-yl)thiophene-3-carboxamide?
N,N-di(propan-2-yl)thiophene-3-carboxamide has a molecular weight of 211.33 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(propan-2-yl)thiophene-3-carboxamide is sourced from PubChem (CID 50896326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).