N-(2-acetamidoethyl)-4-sulfanylthiophene-2-carboxamide

C9H12N2O2S2 — CID 107022996

IUPACN-(2-acetamidoethyl)-4-sulfanylthiophene-2-carboxamide
SMILESCC(=O)NCCNC(=O)c1cc(S)cs1
InChIInChI=1S/C9H12N2O2S2/c1-6(12)10-2-3-11-9(13)8-4-7(14)5-15-8/h4-5,14H,2-3H2,1H3,(H,10,12)(H,11,13)
InChIKeyJOJGLISKZSBEQM-UHFFFAOYSA-N
MW244.34 g/mol
LogP0.90
Rot. Bonds4

About N-(2-acetamidoethyl)-4-sulfanylthiophene-2-carboxamide

N-(2-acetamidoethyl)-4-sulfanylthiophene-2-carboxamide (PubChem CID 107022996) has the molecular formula C9H12N2O2S2 and a molecular weight of 244.34 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-4-sulfanylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-4-sulfanylthiophene-2-carboxamide
PubChem CID107022996
Molecular FormulaC9H12N2O2S2
Molecular Weight244.34 g/mol
Exact Mass244.03
IUPAC NameN-(2-acetamidoethyl)-4-sulfanylthiophene-2-carboxamide
SMILESCC(=O)NCCNC(=O)c1cc(S)cs1
InChIInChI=1S/C9H12N2O2S2/c1-6(12)10-2-3-11-9(13)8-4-7(14)5-15-8/h4-5,14H,2-3H2,1H3,(H,10,12)(H,11,13)
InChIKeyJOJGLISKZSBEQM-UHFFFAOYSA-N
XLogP0.90
TPSA58.20 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-(4-methoxyphenyl)ethyl]-4-sulfanylthiophene-2-carboxamide
CID 107020280
N-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-sulfanylthiophene-2-carboxamide
CID 107028742
N-[2-oxo-2-(propan-2-ylamino)ethyl]-4-sulfanylthiophene-2-carboxamide
CID 107023129
N-(3-cyclopentylpropyl)-4-sulfanylthiophene-2-carboxamide
CID 114136943
N-(2-piperazin-1-ylethyl)-4-sulfanylthiophene-2-carboxamide
CID 107024051
N-[(5-methylthiophen-2-yl)methyl]-4-sulfanylthiophene-2-carboxamide
CID 107027830
N-(cyclopentylmethyl)-4-sulfanylthiophene-2-carboxamide
CID 107022608
N-[(4-bromothiophen-2-yl)methyl]-4-sulfanylthiophene-2-carboxamide
CID 107030617
N-[(4-propan-2-ylphenyl)methyl]-4-sulfanylthiophene-2-carboxamide
CID 107027298
N-[(3-hydroxycyclobutyl)methyl]-4-sulfanylthiophene-2-carboxamide
CID 107031671
N-(2,2-dimethylheptyl)-4-sulfanylthiophene-2-carboxamide
CID 107032718

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-4-sulfanylthiophene-2-carboxamide?
The IUPAC name of N-(2-acetamidoethyl)-4-sulfanylthiophene-2-carboxamide (CID 107022996) is N-(2-acetamidoethyl)-4-sulfanylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-acetamidoethyl)-4-sulfanylthiophene-2-carboxamide?
The canonical SMILES for N-(2-acetamidoethyl)-4-sulfanylthiophene-2-carboxamide is CC(=O)NCCNC(=O)c1cc(S)cs1.
What is the InChIKey of N-(2-acetamidoethyl)-4-sulfanylthiophene-2-carboxamide?
The InChIKey is JOJGLISKZSBEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S2/c1-6(12)10-2-3-11-9(13)8-4-7(14)5-15-8/h4-5,14H,2-3H2,1H3,(H,10,12)(H,11,13).
What are the key properties of N-(2-acetamidoethyl)-4-sulfanylthiophene-2-carboxamide?
N-(2-acetamidoethyl)-4-sulfanylthiophene-2-carboxamide has a molecular weight of 244.34 g/mol, XLogP of 0.90, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-4-sulfanylthiophene-2-carboxamide is sourced from PubChem (CID 107022996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).