N-tert-butyl-4-methylthiophene-3-carboxamide

C10H15NOS — CID 79770886

IUPACN-tert-butyl-4-methylthiophene-3-carboxamide
SMILESCc1cscc1C(=O)NC(C)(C)C
InChIInChI=1S/C10H15NOS/c1-7-5-13-6-8(7)9(12)11-10(2,3)4/h5-6H,1-4H3,(H,11,12)
InChIKeyYXKSOIGIARPRHA-UHFFFAOYSA-N
MW197.30 g/mol
LogP2.58
Rot. Bonds1

About N-tert-butyl-4-methylthiophene-3-carboxamide

N-tert-butyl-4-methylthiophene-3-carboxamide (PubChem CID 79770886) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is N-tert-butyl-4-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-methylthiophene-3-carboxamide
PubChem CID79770886
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC NameN-tert-butyl-4-methylthiophene-3-carboxamide
SMILESCc1cscc1C(=O)NC(C)(C)C
InChIInChI=1S/C10H15NOS/c1-7-5-13-6-8(7)9(12)11-10(2,3)4/h5-6H,1-4H3,(H,11,12)
InChIKeyYXKSOIGIARPRHA-UHFFFAOYSA-N
XLogP2.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butylthiophene-3-carboxamide
CID 9794067
N-acetylthiophene-3-carboxamide
CID 12104590
N-Butylthiophene-3-carboxamide
CID 12161492
4-Methylthiophene-3-carboxamide
CID 18938129
N-[(3S)-3-carbamoyl-2-methylpentan-3-yl]-4-methylthiophene-3-carboxamide
CID 97811227
N-tert-butyl-5-fluorothiophene-3-carboxamide
CID 154621469
N-propanoylthiophene-3-carboxamide
CID 12104591
N-butanoylthiophene-3-carboxamide
CID 12104592
N-(2,2-dimethylpropanoyl)thiophene-3-carboxamide
CID 12104593
4-methyl-N-(2,2,3,3-tetrafluoropropyl)thiophene-3-carboxamide
CID 99795521
N-(3-amino-2,2-difluoropropyl)-4-methylthiophene-3-carboxamide
CID 114383440
N-[1-(difluoromethyl)cyclopropyl]thiophene-3-carboxamide
CID 126777754

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-methylthiophene-3-carboxamide?
The IUPAC name of N-tert-butyl-4-methylthiophene-3-carboxamide (CID 79770886) is N-tert-butyl-4-methylthiophene-3-carboxamide.
What is the SMILES notation for N-tert-butyl-4-methylthiophene-3-carboxamide?
The canonical SMILES for N-tert-butyl-4-methylthiophene-3-carboxamide is Cc1cscc1C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-4-methylthiophene-3-carboxamide?
The InChIKey is YXKSOIGIARPRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS/c1-7-5-13-6-8(7)9(12)11-10(2,3)4/h5-6H,1-4H3,(H,11,12).
What are the key properties of N-tert-butyl-4-methylthiophene-3-carboxamide?
N-tert-butyl-4-methylthiophene-3-carboxamide has a molecular weight of 197.30 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-methylthiophene-3-carboxamide is sourced from PubChem (CID 79770886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).