N-(2,2-dimethylheptyl)-4-sulfanylthiophene-2-carboxamide

C14H23NOS2 — CID 107032718

IUPACN-(2,2-dimethylheptyl)-4-sulfanylthiophene-2-carboxamide
SMILESCCCCCC(C)(C)CNC(=O)c1cc(S)cs1
InChIInChI=1S/C14H23NOS2/c1-4-5-6-7-14(2,3)10-15-13(16)12-8-11(17)9-18-12/h8-9,17H,4-7,10H2,1-3H3,(H,15,16)
InChIKeyNHKKYVDTHYERLE-UHFFFAOYSA-N
MW285.48 g/mol
LogP4.37
Rot. Bonds7

About N-(2,2-dimethylheptyl)-4-sulfanylthiophene-2-carboxamide

N-(2,2-dimethylheptyl)-4-sulfanylthiophene-2-carboxamide (PubChem CID 107032718) has the molecular formula C14H23NOS2 and a molecular weight of 285.48 g/mol. Its IUPAC name is N-(2,2-dimethylheptyl)-4-sulfanylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethylheptyl)-4-sulfanylthiophene-2-carboxamide
PubChem CID107032718
Molecular FormulaC14H23NOS2
Molecular Weight285.48 g/mol
Exact Mass285.12
IUPAC NameN-(2,2-dimethylheptyl)-4-sulfanylthiophene-2-carboxamide
SMILESCCCCCC(C)(C)CNC(=O)c1cc(S)cs1
InChIInChI=1S/C14H23NOS2/c1-4-5-6-7-14(2,3)10-15-13(16)12-8-11(17)9-18-12/h8-9,17H,4-7,10H2,1-3H3,(H,15,16)
InChIKeyNHKKYVDTHYERLE-UHFFFAOYSA-N
XLogP4.37
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.48
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-[2-(carbamoylamino)ethyl]-4-sulfanylthiophene-2-carboxamide
CID 107034097
N-(2-acetamidoethyl)-4-sulfanylthiophene-2-carboxamide
CID 107022996
2-bromo-N-(2,2-dimethylheptyl)pyridine-3-carboxamide
CID 103755991
N-(2,2-dimethylheptyl)-5-ethyl-1,2-oxazole-3-carboxamide
CID 160550782
N-(2,2-dimethylheptyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103747347
N-(3-cyclopentylpropyl)-4-sulfanylthiophene-2-carboxamide
CID 114136943
N-methyl-N-propyl-4-sulfanylthiophene-2-carboxamide
CID 107022451
5-amino-N-(2,2-dimethylheptyl)-2-fluoro-3-methylbenzamide
CID 103296661
4-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)-5-methylthiophene-2-carboxamide
CID 103899429
4-bromo-N-(2,2-dimethylheptyl)-2-methoxybenzamide
CID 115369323
N-(2,2-dimethylheptyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605551
N-[(5-methylthiophen-2-yl)methyl]-4-sulfanylthiophene-2-carboxamide
CID 107027830

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylheptyl)-4-sulfanylthiophene-2-carboxamide?
The IUPAC name of N-(2,2-dimethylheptyl)-4-sulfanylthiophene-2-carboxamide (CID 107032718) is N-(2,2-dimethylheptyl)-4-sulfanylthiophene-2-carboxamide.
What is the SMILES notation for N-(2,2-dimethylheptyl)-4-sulfanylthiophene-2-carboxamide?
The canonical SMILES for N-(2,2-dimethylheptyl)-4-sulfanylthiophene-2-carboxamide is CCCCCC(C)(C)CNC(=O)c1cc(S)cs1.
What is the InChIKey of N-(2,2-dimethylheptyl)-4-sulfanylthiophene-2-carboxamide?
The InChIKey is NHKKYVDTHYERLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS2/c1-4-5-6-7-14(2,3)10-15-13(16)12-8-11(17)9-18-12/h8-9,17H,4-7,10H2,1-3H3,(H,15,16).
What are the key properties of N-(2,2-dimethylheptyl)-4-sulfanylthiophene-2-carboxamide?
N-(2,2-dimethylheptyl)-4-sulfanylthiophene-2-carboxamide has a molecular weight of 285.48 g/mol, XLogP of 4.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylheptyl)-4-sulfanylthiophene-2-carboxamide is sourced from PubChem (CID 107032718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).