2-[(3-chloro-1-benzothiophen-2-yl)methoxy]-3-methoxy-N,N-dimethylbenzamide

C19H18ClNO3S — CID 112844132

IUPAC2-[(3-chloro-1-benzothiophen-2-yl)methoxy]-3-methoxy-N,N-dimethylbenzamide
SMILESCOc1cccc(C(=O)N(C)C)c1OCc1sc2ccccc2c1Cl
InChIInChI=1S/C19H18ClNO3S/c1-21(2)19(22)13-8-6-9-14(23-3)18(13)24-11-16-17(20)12-7-4-5-10-15(12)25-16/h4-10H,11H2,1-3H3
InChIKeyBWWZPAFOGJVZLA-UHFFFAOYSA-N
MW375.88 g/mol
LogP4.84
Rot. Bonds5

About 2-[(3-chloro-1-benzothiophen-2-yl)methoxy]-3-methoxy-N,N-dimethylbenzamide

2-[(3-chloro-1-benzothiophen-2-yl)methoxy]-3-methoxy-N,N-dimethylbenzamide (PubChem CID 112844132) has the molecular formula C19H18ClNO3S and a molecular weight of 375.88 g/mol. Its IUPAC name is 2-[(3-chloro-1-benzothiophen-2-yl)methoxy]-3-methoxy-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-[(3-chloro-1-benzothiophen-2-yl)methoxy]-3-methoxy-N,N-dimethylbenzamide
PubChem CID112844132
Molecular FormulaC19H18ClNO3S
Molecular Weight375.88 g/mol
Exact Mass375.07
IUPAC Name2-[(3-chloro-1-benzothiophen-2-yl)methoxy]-3-methoxy-N,N-dimethylbenzamide
SMILESCOc1cccc(C(=O)N(C)C)c1OCc1sc2ccccc2c1Cl
InChIInChI=1S/C19H18ClNO3S/c1-21(2)19(22)13-8-6-9-14(23-3)18(13)24-11-16-17(20)12-7-4-5-10-15(12)25-16/h4-10H,11H2,1-3H3
InChIKeyBWWZPAFOGJVZLA-UHFFFAOYSA-N
XLogP4.84
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.88
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-1-benzothiophen-2-yl)methoxy]-3-methoxy-N,N-dimethylbenzamide?
The IUPAC name of 2-[(3-chloro-1-benzothiophen-2-yl)methoxy]-3-methoxy-N,N-dimethylbenzamide (CID 112844132) is 2-[(3-chloro-1-benzothiophen-2-yl)methoxy]-3-methoxy-N,N-dimethylbenzamide.
What is the SMILES notation for 2-[(3-chloro-1-benzothiophen-2-yl)methoxy]-3-methoxy-N,N-dimethylbenzamide?
The canonical SMILES for 2-[(3-chloro-1-benzothiophen-2-yl)methoxy]-3-methoxy-N,N-dimethylbenzamide is COc1cccc(C(=O)N(C)C)c1OCc1sc2ccccc2c1Cl.
What is the InChIKey of 2-[(3-chloro-1-benzothiophen-2-yl)methoxy]-3-methoxy-N,N-dimethylbenzamide?
The InChIKey is BWWZPAFOGJVZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO3S/c1-21(2)19(22)13-8-6-9-14(23-3)18(13)24-11-16-17(20)12-7-4-5-10-15(12)25-16/h4-10H,11H2,1-3H3.
What are the key properties of 2-[(3-chloro-1-benzothiophen-2-yl)methoxy]-3-methoxy-N,N-dimethylbenzamide?
2-[(3-chloro-1-benzothiophen-2-yl)methoxy]-3-methoxy-N,N-dimethylbenzamide has a molecular weight of 375.88 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-1-benzothiophen-2-yl)methoxy]-3-methoxy-N,N-dimethylbenzamide is sourced from PubChem (CID 112844132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).