3-chloro-4,5-dimethoxy-N,N-bis(thiophen-2-ylmethyl)benzamide

C19H18ClNO3S2 — CID 31838372

IUPAC3-chloro-4,5-dimethoxy-N,N-bis(thiophen-2-ylmethyl)benzamide
SMILESCOc1cc(C(=O)N(Cc2cccs2)Cc2cccs2)cc(Cl)c1OC
InChIInChI=1S/C19H18ClNO3S2/c1-23-17-10-13(9-16(20)18(17)24-2)19(22)21(11-14-5-3-7-25-14)12-15-6-4-8-26-15/h3-10H,11-12H2,1-2H3
InChIKeyDJDHMXKESMKOKK-UHFFFAOYSA-N
MW407.94 g/mol
LogP5.32
Rot. Bonds7

About 3-chloro-4,5-dimethoxy-N,N-bis(thiophen-2-ylmethyl)benzamide

3-chloro-4,5-dimethoxy-N,N-bis(thiophen-2-ylmethyl)benzamide (PubChem CID 31838372) has the molecular formula C19H18ClNO3S2 and a molecular weight of 407.94 g/mol. Its IUPAC name is 3-chloro-4,5-dimethoxy-N,N-bis(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-chloro-4,5-dimethoxy-N,N-bis(thiophen-2-ylmethyl)benzamide
PubChem CID31838372
Molecular FormulaC19H18ClNO3S2
Molecular Weight407.94 g/mol
Exact Mass407.04
IUPAC Name3-chloro-4,5-dimethoxy-N,N-bis(thiophen-2-ylmethyl)benzamide
SMILESCOc1cc(C(=O)N(Cc2cccs2)Cc2cccs2)cc(Cl)c1OC
InChIInChI=1S/C19H18ClNO3S2/c1-23-17-10-13(9-16(20)18(17)24-2)19(22)21(11-14-5-3-7-25-14)12-15-6-4-8-26-15/h3-10H,11-12H2,1-2H3
InChIKeyDJDHMXKESMKOKK-UHFFFAOYSA-N
XLogP5.32
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.94
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-4-ethoxy-5-methoxy-N,N-bis(thiophen-2-ylmethyl)benzamide
CID 31838012
3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dimethoxy-N-(thiophen-2-ylmethyl)benzamide
CID 46807215
3,5-dimethoxy-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzamide
CID 8700024
N-(4-fluorophenyl)-3,4,5-trimethoxy-N-(thiophen-2-ylmethyl)benzamide
CID 17013553
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 3-chloro-4-ethoxy-5-methoxybenzoate
CID 42318884
3-chloro-5-methoxy-4-(3-methylbutoxy)-N-(thiophen-2-ylmethyl)benzamide
CID 31288260
3-chloro-4,5-dimethoxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 18110375
3-chloro-N-(furan-2-ylmethyl)-4,5-dimethoxy-N-methylbenzamide
CID 27719528
3-methoxy-4-(1,3-thiazol-4-ylmethoxy)-N,N-bis(thiophen-2-ylmethyl)benzamide
CID 31842603
3-chloro-N-[(2,3-dimethoxyphenyl)methyl]-4,5-dimethoxy-N-methylbenzamide
CID 18111968
N-[(2-methoxyphenyl)methyl]-3-methylsulfonyl-N-(thiophen-2-ylmethyl)benzamide
CID 55333106
3-ethoxy-N-(furan-2-ylmethyl)-4-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 31833854

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4,5-dimethoxy-N,N-bis(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 3-chloro-4,5-dimethoxy-N,N-bis(thiophen-2-ylmethyl)benzamide (CID 31838372) is 3-chloro-4,5-dimethoxy-N,N-bis(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 3-chloro-4,5-dimethoxy-N,N-bis(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 3-chloro-4,5-dimethoxy-N,N-bis(thiophen-2-ylmethyl)benzamide is COc1cc(C(=O)N(Cc2cccs2)Cc2cccs2)cc(Cl)c1OC.
What is the InChIKey of 3-chloro-4,5-dimethoxy-N,N-bis(thiophen-2-ylmethyl)benzamide?
The InChIKey is DJDHMXKESMKOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO3S2/c1-23-17-10-13(9-16(20)18(17)24-2)19(22)21(11-14-5-3-7-25-14)12-15-6-4-8-26-15/h3-10H,11-12H2,1-2H3.
What are the key properties of 3-chloro-4,5-dimethoxy-N,N-bis(thiophen-2-ylmethyl)benzamide?
3-chloro-4,5-dimethoxy-N,N-bis(thiophen-2-ylmethyl)benzamide has a molecular weight of 407.94 g/mol, XLogP of 5.32, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4,5-dimethoxy-N,N-bis(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 31838372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).