2,5-dichloro-N-[(1,1-dioxothiolan-3-yl)methyl]thiophene-3-carboxamide

C10H11Cl2NO3S2 — CID 47157012

IUPAC2,5-dichloro-N-[(1,1-dioxothiolan-3-yl)methyl]thiophene-3-carboxamide
SMILESO=C(NCC1CCS(=O)(=O)C1)c1cc(Cl)sc1Cl
InChIInChI=1S/C10H11Cl2NO3S2/c11-8-3-7(9(12)17-8)10(14)13-4-6-1-2-18(15,16)5-6/h3,6H,1-2,4-5H2,(H,13,14)
InChIKeyDRMNBGDQBWBTHT-UHFFFAOYSA-N
MW328.24 g/mol
LogP2.22
Rot. Bonds3

About 2,5-dichloro-N-[(1,1-dioxothiolan-3-yl)methyl]thiophene-3-carboxamide

2,5-dichloro-N-[(1,1-dioxothiolan-3-yl)methyl]thiophene-3-carboxamide (PubChem CID 47157012) has the molecular formula C10H11Cl2NO3S2 and a molecular weight of 328.24 g/mol. Its IUPAC name is 2,5-dichloro-N-[(1,1-dioxothiolan-3-yl)methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-[(1,1-dioxothiolan-3-yl)methyl]thiophene-3-carboxamide
PubChem CID47157012
Molecular FormulaC10H11Cl2NO3S2
Molecular Weight328.24 g/mol
Exact Mass326.96
IUPAC Name2,5-dichloro-N-[(1,1-dioxothiolan-3-yl)methyl]thiophene-3-carboxamide
SMILESO=C(NCC1CCS(=O)(=O)C1)c1cc(Cl)sc1Cl
InChIInChI=1S/C10H11Cl2NO3S2/c11-8-3-7(9(12)17-8)10(14)13-4-6-1-2-18(15,16)5-6/h3,6H,1-2,4-5H2,(H,13,14)
InChIKeyDRMNBGDQBWBTHT-UHFFFAOYSA-N
XLogP2.22
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.24
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[(1,1-dioxothiolan-3-yl)methyl]thiophene-3-carboxamide?
The IUPAC name of 2,5-dichloro-N-[(1,1-dioxothiolan-3-yl)methyl]thiophene-3-carboxamide (CID 47157012) is 2,5-dichloro-N-[(1,1-dioxothiolan-3-yl)methyl]thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-[(1,1-dioxothiolan-3-yl)methyl]thiophene-3-carboxamide?
The canonical SMILES for 2,5-dichloro-N-[(1,1-dioxothiolan-3-yl)methyl]thiophene-3-carboxamide is O=C(NCC1CCS(=O)(=O)C1)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N-[(1,1-dioxothiolan-3-yl)methyl]thiophene-3-carboxamide?
The InChIKey is DRMNBGDQBWBTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO3S2/c11-8-3-7(9(12)17-8)10(14)13-4-6-1-2-18(15,16)5-6/h3,6H,1-2,4-5H2,(H,13,14).
What are the key properties of 2,5-dichloro-N-[(1,1-dioxothiolan-3-yl)methyl]thiophene-3-carboxamide?
2,5-dichloro-N-[(1,1-dioxothiolan-3-yl)methyl]thiophene-3-carboxamide has a molecular weight of 328.24 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[(1,1-dioxothiolan-3-yl)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 47157012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).