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

C10H8BrNOS3 — CID 107030617

IUPACN-[(4-bromothiophen-2-yl)methyl]-4-sulfanylthiophene-2-carboxamide
SMILESO=C(NCc1cc(Br)cs1)c1cc(S)cs1
InChIInChI=1S/C10H8BrNOS3/c11-6-1-8(15-4-6)3-12-10(13)9-2-7(14)5-16-9/h1-2,4-5,14H,3H2,(H,12,13)
InChIKeyCCOFRXPDZBDKJL-UHFFFAOYSA-N
MW334.29 g/mol
LogP3.79
Rot. Bonds3

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

N-[(4-bromothiophen-2-yl)methyl]-4-sulfanylthiophene-2-carboxamide (PubChem CID 107030617) has the molecular formula C10H8BrNOS3 and a molecular weight of 334.29 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-4-sulfanylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-4-sulfanylthiophene-2-carboxamide
PubChem CID107030617
Molecular FormulaC10H8BrNOS3
Molecular Weight334.29 g/mol
Exact Mass332.90
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-4-sulfanylthiophene-2-carboxamide
SMILESO=C(NCc1cc(Br)cs1)c1cc(S)cs1
InChIInChI=1S/C10H8BrNOS3/c11-6-1-8(15-4-6)3-12-10(13)9-2-7(14)5-16-9/h1-2,4-5,14H,3H2,(H,12,13)
InChIKeyCCOFRXPDZBDKJL-UHFFFAOYSA-N
XLogP3.79
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.29
LogP ≤ 53.79
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-[(5-methylthiophen-2-yl)methyl]-4-sulfanylthiophene-2-carboxamide
CID 107027830
4-sulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide
CID 107028783
N-[(4-bromothiophen-2-yl)methyl]-2,6-dihydroxybenzamide
CID 113254483
2-amino-4-bromo-N-[(4-bromothiophen-2-yl)methyl]benzamide
CID 79723749
N-[2-(carbamoylamino)ethyl]-4-sulfanylthiophene-2-carboxamide
CID 107034097
N-(2-acetamidoethyl)-4-sulfanylthiophene-2-carboxamide
CID 107022996
N-[(4-bromothiophen-2-yl)methyl]-5-hydroxypyridine-3-carboxamide
CID 63930382
4-bromo-N-[(4-bromothiophen-2-yl)methyl]-3-chlorobenzamide
CID 81295807
1-[(4-bromothiophen-2-yl)methyl]-3-methylurea
CID 23548634
N-(1,3-benzodioxol-5-ylmethyl)-4-sulfanylthiophene-2-carboxamide
CID 107028822
N-[(4-bromothiophen-2-yl)methyl]thiadiazole-4-carboxamide
CID 47352361

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-4-sulfanylthiophene-2-carboxamide?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-4-sulfanylthiophene-2-carboxamide (CID 107030617) is N-[(4-bromothiophen-2-yl)methyl]-4-sulfanylthiophene-2-carboxamide.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-4-sulfanylthiophene-2-carboxamide?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-4-sulfanylthiophene-2-carboxamide is O=C(NCc1cc(Br)cs1)c1cc(S)cs1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-4-sulfanylthiophene-2-carboxamide?
The InChIKey is CCOFRXPDZBDKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNOS3/c11-6-1-8(15-4-6)3-12-10(13)9-2-7(14)5-16-9/h1-2,4-5,14H,3H2,(H,12,13).
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-4-sulfanylthiophene-2-carboxamide?
N-[(4-bromothiophen-2-yl)methyl]-4-sulfanylthiophene-2-carboxamide has a molecular weight of 334.29 g/mol, XLogP of 3.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-4-sulfanylthiophene-2-carboxamide is sourced from PubChem (CID 107030617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).