5-chloro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-methoxybenzamide

C18H16ClNO3S2 — CID 71804650

IUPAC5-chloro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCc1ccc(C(O)c2cccs2)s1
InChIInChI=1S/C18H16ClNO3S2/c1-23-14-6-4-11(19)9-13(14)18(22)20-10-12-5-7-16(25-12)17(21)15-3-2-8-24-15/h2-9,17,21H,10H2,1H3,(H,20,22)
InChIKeyQKNGPEMVDMAMOH-UHFFFAOYSA-N
MW393.92 g/mol
LogP4.48
Rot. Bonds6

About 5-chloro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-methoxybenzamide

5-chloro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-methoxybenzamide (PubChem CID 71804650) has the molecular formula C18H16ClNO3S2 and a molecular weight of 393.92 g/mol. Its IUPAC name is 5-chloro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-methoxybenzamide
PubChem CID71804650
Molecular FormulaC18H16ClNO3S2
Molecular Weight393.92 g/mol
Exact Mass393.03
IUPAC Name5-chloro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCc1ccc(C(O)c2cccs2)s1
InChIInChI=1S/C18H16ClNO3S2/c1-23-14-6-4-11(19)9-13(14)18(22)20-10-12-5-7-16(25-12)17(21)15-3-2-8-24-15/h2-9,17,21H,10H2,1H3,(H,20,22)
InChIKeyQKNGPEMVDMAMOH-UHFFFAOYSA-N
XLogP4.48
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.92
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2-methoxybenzamide
CID 121134157
2,4-dichloro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzamide
CID 90583522
5-chloro-2-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 887260
4-chloro-N-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzamide
CID 97041440
3,4-diethoxy-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzamide
CID 90583545
5-chloro-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methoxybenzamide
CID 2532293
5-chloro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]thiophene-2-carboxamide
CID 71804635
5-chloro-2-methoxy-N-(2-thiophen-2-ylethyl)benzamide
CID 17403894
N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2,4,6-trimethylbenzamide
CID 90583475
2,5-dichloro-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzamide
CID 121133443
4-(dimethylamino)-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzamide
CID 71804637
N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]furan-3-carboxamide
CID 71804666

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-methoxybenzamide (CID 71804650) is 5-chloro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)NCc1ccc(C(O)c2cccs2)s1.
What is the InChIKey of 5-chloro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-methoxybenzamide?
The InChIKey is QKNGPEMVDMAMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO3S2/c1-23-14-6-4-11(19)9-13(14)18(22)20-10-12-5-7-16(25-12)17(21)15-3-2-8-24-15/h2-9,17,21H,10H2,1H3,(H,20,22).
What are the key properties of 5-chloro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-methoxybenzamide?
5-chloro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-methoxybenzamide has a molecular weight of 393.92 g/mol, XLogP of 4.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-methoxybenzamide is sourced from PubChem (CID 71804650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).