N-[(5-methylthiophen-2-yl)methyl]-4-sulfanylthiophene-2-carboxamide

C11H11NOS3 — CID 107027830

IUPACN-[(5-methylthiophen-2-yl)methyl]-4-sulfanylthiophene-2-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(S)cs2)s1
InChIInChI=1S/C11H11NOS3/c1-7-2-3-9(16-7)5-12-11(13)10-4-8(14)6-15-10/h2-4,6,14H,5H2,1H3,(H,12,13)
InChIKeyPCPPBQGCHPQUGL-UHFFFAOYSA-N
MW269.42 g/mol
LogP3.34
Rot. Bonds3

About N-[(5-methylthiophen-2-yl)methyl]-4-sulfanylthiophene-2-carboxamide

N-[(5-methylthiophen-2-yl)methyl]-4-sulfanylthiophene-2-carboxamide (PubChem CID 107027830) has the molecular formula C11H11NOS3 and a molecular weight of 269.42 g/mol. Its IUPAC name is N-[(5-methylthiophen-2-yl)methyl]-4-sulfanylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(5-methylthiophen-2-yl)methyl]-4-sulfanylthiophene-2-carboxamide
PubChem CID107027830
Molecular FormulaC11H11NOS3
Molecular Weight269.42 g/mol
Exact Mass269.00
IUPAC NameN-[(5-methylthiophen-2-yl)methyl]-4-sulfanylthiophene-2-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(S)cs2)s1
InChIInChI=1S/C11H11NOS3/c1-7-2-3-9(16-7)5-12-11(13)10-4-8(14)6-15-10/h2-4,6,14H,5H2,1H3,(H,12,13)
InChIKeyPCPPBQGCHPQUGL-UHFFFAOYSA-N
XLogP3.34
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.42
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-bromothiophen-2-yl)methyl]-4-sulfanylthiophene-2-carboxamide
CID 107030604
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-(1,3-benzodioxol-5-ylmethyl)-4-sulfanylthiophene-2-carboxamide
CID 107028822
N-(2-acetamidoethyl)-4-sulfanylthiophene-2-carboxamide
CID 107022996
3,5-dibromo-N-[(5-methylthiophen-2-yl)methyl]benzamide
CID 107980409
5-hydroxy-N-[(5-methylthiophen-2-yl)methyl]pyridine-3-carboxamide
CID 55258652
2,6-dichloro-N-[(5-methylthiophen-2-yl)methyl]pyridine-4-carboxamide
CID 55021338
2-hydroxy-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 130685032
N-[2-(carbamoylamino)ethyl]-4-sulfanylthiophene-2-carboxamide
CID 107034097
N-[(6-methoxy-3-pyridinyl)methyl]-4-sulfanylthiophene-2-carboxamide
CID 107029146
N-[2-oxo-2-(propan-2-ylamino)ethyl]-4-sulfanylthiophene-2-carboxamide
CID 107023129

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-4-sulfanylthiophene-2-carboxamide?
The IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-4-sulfanylthiophene-2-carboxamide (CID 107027830) is N-[(5-methylthiophen-2-yl)methyl]-4-sulfanylthiophene-2-carboxamide.
What is the SMILES notation for N-[(5-methylthiophen-2-yl)methyl]-4-sulfanylthiophene-2-carboxamide?
The canonical SMILES for N-[(5-methylthiophen-2-yl)methyl]-4-sulfanylthiophene-2-carboxamide is Cc1ccc(CNC(=O)c2cc(S)cs2)s1.
What is the InChIKey of N-[(5-methylthiophen-2-yl)methyl]-4-sulfanylthiophene-2-carboxamide?
The InChIKey is PCPPBQGCHPQUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NOS3/c1-7-2-3-9(16-7)5-12-11(13)10-4-8(14)6-15-10/h2-4,6,14H,5H2,1H3,(H,12,13).
What are the key properties of N-[(5-methylthiophen-2-yl)methyl]-4-sulfanylthiophene-2-carboxamide?
N-[(5-methylthiophen-2-yl)methyl]-4-sulfanylthiophene-2-carboxamide has a molecular weight of 269.42 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylthiophen-2-yl)methyl]-4-sulfanylthiophene-2-carboxamide is sourced from PubChem (CID 107027830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).