3,4-dichloro-N-[(3S)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)-1-benzothiophene-2-carboxamide

C18H15Cl2NO4S2 — CID 40872049

IUPAC3,4-dichloro-N-[(3S)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)-1-benzothiophene-2-carboxamide
SMILESO=C(c1sc2cccc(Cl)c2c1Cl)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C18H15Cl2NO4S2/c19-13-4-1-5-14-15(13)16(20)17(26-14)18(22)21(9-12-3-2-7-25-12)11-6-8-27(23,24)10-11/h1-5,7,11H,6,8-10H2/t11-/m0/s1
InChIKeySBSWNXVPUFTAJJ-NSHDSACASA-N
MW444.36 g/mol
LogP4.63
Rot. Bonds4

About 3,4-dichloro-N-[(3S)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)-1-benzothiophene-2-carboxamide

3,4-dichloro-N-[(3S)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)-1-benzothiophene-2-carboxamide (PubChem CID 40872049) has the molecular formula C18H15Cl2NO4S2 and a molecular weight of 444.36 g/mol. Its IUPAC name is 3,4-dichloro-N-[(3S)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3,4-dichloro-N-[(3S)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)-1-benzothiophene-2-carboxamide
PubChem CID40872049
Molecular FormulaC18H15Cl2NO4S2
Molecular Weight444.36 g/mol
Exact Mass442.98
IUPAC Name3,4-dichloro-N-[(3S)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)-1-benzothiophene-2-carboxamide
SMILESO=C(c1sc2cccc(Cl)c2c1Cl)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C18H15Cl2NO4S2/c19-13-4-1-5-14-15(13)16(20)17(26-14)18(22)21(9-12-3-2-7-25-12)11-6-8-27(23,24)10-11/h1-5,7,11H,6,8-10H2/t11-/m0/s1
InChIKeySBSWNXVPUFTAJJ-NSHDSACASA-N
XLogP4.63
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.36
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3,4-dichloro-N-[(3S)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)-1-benzothiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-dichloro-N-(1,1-dioxothiolan-3-yl)-N-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 11835456
3,4-dichloro-N-[(3-chlorophenyl)methyl]-N-[(3S)-1,1-dioxothiolan-3-yl]-1-benzothiophene-2-carboxamide
CID 41077113
3,4-dichloro-N-(1,1-dioxothiolan-3-yl)-N-[(4-methoxyphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 3367983
3,4-dichloro-N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(3-methylthiophen-2-yl)methyl]-1-benzothiophene-2-carboxamide
CID 40872214
3,4,6-trichloro-N-(1,1-dioxothiolan-3-yl)-N-[(5-methylfuran-2-yl)methyl]-1-benzothiophene-2-carboxamide
CID 18880214
3,5-dichloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)benzamide
CID 8019928
2,4-dichloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)benzamide
CID 35122106
N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)benzamide
CID 7546676
N-benzyl-3,4,6-trichloro-N-[(3R)-1,1-dioxothiolan-3-yl]-1-benzothiophene-2-carboxamide
CID 41065177
N-benzyl-3,4,6-trichloro-N-(1,1-dioxothiolan-3-yl)-1-benzothiophene-2-carboxamide
CID 3808929
3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(5-methylfuran-2-yl)methyl]-1-benzothiophene-2-carboxamide
CID 41067906
3-chloro-N-[(2-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-1-benzothiophene-2-carboxamide
CID 3305561

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[(3S)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3,4-dichloro-N-[(3S)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)-1-benzothiophene-2-carboxamide (CID 40872049) is 3,4-dichloro-N-[(3S)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3,4-dichloro-N-[(3S)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3,4-dichloro-N-[(3S)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)-1-benzothiophene-2-carboxamide is O=C(c1sc2cccc(Cl)c2c1Cl)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of 3,4-dichloro-N-[(3S)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)-1-benzothiophene-2-carboxamide?
The InChIKey is SBSWNXVPUFTAJJ-NSHDSACASA-N. The full InChI is InChI=1S/C18H15Cl2NO4S2/c19-13-4-1-5-14-15(13)16(20)17(26-14)18(22)21(9-12-3-2-7-25-12)11-6-8-27(23,24)10-11/h1-5,7,11H,6,8-10H2/t11-/m0/s1.
What are the key properties of 3,4-dichloro-N-[(3S)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)-1-benzothiophene-2-carboxamide?
3,4-dichloro-N-[(3S)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)-1-benzothiophene-2-carboxamide has a molecular weight of 444.36 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[(3S)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 40872049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).