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

C11H17NOS — CID 792123

IUPACN,N-di(propan-2-yl)thiophene-2-carboxamide
SMILESCC(C)N(C(=O)c1cccs1)C(C)C
InChIInChI=1S/C11H17NOS/c1-8(2)12(9(3)4)11(13)10-6-5-7-14-10/h5-9H,1-4H3
InChIKeySQVCNHFYYTXJQZ-UHFFFAOYSA-N
MW211.33 g/mol
LogP3.01
Rot. Bonds3

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

N,N-di(propan-2-yl)thiophene-2-carboxamide (PubChem CID 792123) 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-2-carboxamide.

Molecular Properties

Compound NameN,N-di(propan-2-yl)thiophene-2-carboxamide
PubChem CID792123
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC NameN,N-di(propan-2-yl)thiophene-2-carboxamide
SMILESCC(C)N(C(=O)c1cccs1)C(C)C
InChIInChI=1S/C11H17NOS/c1-8(2)12(9(3)4)11(13)10-6-5-7-14-10/h5-9H,1-4H3
InChIKeySQVCNHFYYTXJQZ-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

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CID 2373236
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CID 1245731
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CID 531921
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CID 2891912
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CID 673377
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CID 2740027
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CID 2820417
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CID 2971109
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CID 4964210
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CID 18573629
CID 18573629

Frequently Asked Questions

What is the IUPAC name of N,N-di(propan-2-yl)thiophene-2-carboxamide?
The IUPAC name of N,N-di(propan-2-yl)thiophene-2-carboxamide (CID 792123) is N,N-di(propan-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for N,N-di(propan-2-yl)thiophene-2-carboxamide?
The canonical SMILES for N,N-di(propan-2-yl)thiophene-2-carboxamide is CC(C)N(C(=O)c1cccs1)C(C)C.
What is the InChIKey of N,N-di(propan-2-yl)thiophene-2-carboxamide?
The InChIKey is SQVCNHFYYTXJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-8(2)12(9(3)4)11(13)10-6-5-7-14-10/h5-9H,1-4H3.
What are the key properties of N,N-di(propan-2-yl)thiophene-2-carboxamide?
N,N-di(propan-2-yl)thiophene-2-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-2-carboxamide is sourced from PubChem (CID 792123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).