N-ethyl-N-propan-2-yl-4-sulfanylthiophene-2-carboxamide

C10H15NOS2 — CID 107022373

IUPACN-ethyl-N-propan-2-yl-4-sulfanylthiophene-2-carboxamide
SMILESCCN(C(=O)c1cc(S)cs1)C(C)C
InChIInChI=1S/C10H15NOS2/c1-4-11(7(2)3)10(12)9-5-8(13)6-14-9/h5-7,13H,4H2,1-3H3
InChIKeyMPEWFQMPSPXLJF-UHFFFAOYSA-N
MW229.37 g/mol
LogP2.91
Rot. Bonds3

About N-ethyl-N-propan-2-yl-4-sulfanylthiophene-2-carboxamide

N-ethyl-N-propan-2-yl-4-sulfanylthiophene-2-carboxamide (PubChem CID 107022373) has the molecular formula C10H15NOS2 and a molecular weight of 229.37 g/mol. Its IUPAC name is N-ethyl-N-propan-2-yl-4-sulfanylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-propan-2-yl-4-sulfanylthiophene-2-carboxamide
PubChem CID107022373
Molecular FormulaC10H15NOS2
Molecular Weight229.37 g/mol
Exact Mass229.06
IUPAC NameN-ethyl-N-propan-2-yl-4-sulfanylthiophene-2-carboxamide
SMILESCCN(C(=O)c1cc(S)cs1)C(C)C
InChIInChI=1S/C10H15NOS2/c1-4-11(7(2)3)10(12)9-5-8(13)6-14-9/h5-7,13H,4H2,1-3H3
InChIKeyMPEWFQMPSPXLJF-UHFFFAOYSA-N
XLogP2.91
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-propyl-4-sulfanylthiophene-2-carboxamide
CID 107022451
N-[5-(diethylamino)pentan-2-yl]-4-sulfanylthiophene-2-carboxamide
CID 107020632
N-benzyl-N-ethyl-4-sulfanylthiophene-2-carboxamide
CID 107022163
N-ethyl-N-(2-fluorophenyl)-4-sulfanylthiophene-2-carboxamide
CID 107027791
butan-2-yl 4-sulfanylthiophene-2-carboxylate
CID 107018189
N-methyl-4-sulfanyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 107023496
N-(cyclopropylmethyl)-N-methyl-4-sulfanylthiophene-2-carboxamide
CID 107023704
N-(2-methylpentan-3-yl)-4-sulfanylthiophene-2-carboxamide
CID 107025092
N-[2-oxo-2-(propan-2-ylamino)ethyl]-4-sulfanylthiophene-2-carboxamide
CID 107023129
N-benzyl-N-methyl-4-sulfanylthiophene-2-carboxamide
CID 107020696
N-methyl-N-[3-(methylamino)-3-oxopropyl]-4-sulfanylthiophene-2-carboxamide
CID 107037295
N-methyl-N-[(4-methylphenyl)methyl]-4-sulfanylthiophene-2-carboxamide
CID 107021894

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-propan-2-yl-4-sulfanylthiophene-2-carboxamide?
The IUPAC name of N-ethyl-N-propan-2-yl-4-sulfanylthiophene-2-carboxamide (CID 107022373) is N-ethyl-N-propan-2-yl-4-sulfanylthiophene-2-carboxamide.
What is the SMILES notation for N-ethyl-N-propan-2-yl-4-sulfanylthiophene-2-carboxamide?
The canonical SMILES for N-ethyl-N-propan-2-yl-4-sulfanylthiophene-2-carboxamide is CCN(C(=O)c1cc(S)cs1)C(C)C.
What is the InChIKey of N-ethyl-N-propan-2-yl-4-sulfanylthiophene-2-carboxamide?
The InChIKey is MPEWFQMPSPXLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS2/c1-4-11(7(2)3)10(12)9-5-8(13)6-14-9/h5-7,13H,4H2,1-3H3.
What are the key properties of N-ethyl-N-propan-2-yl-4-sulfanylthiophene-2-carboxamide?
N-ethyl-N-propan-2-yl-4-sulfanylthiophene-2-carboxamide has a molecular weight of 229.37 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-propan-2-yl-4-sulfanylthiophene-2-carboxamide is sourced from PubChem (CID 107022373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).