7-chloro-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-methyl-1-benzofuran-2-carboxamide

C18H19ClN2O2S — CID 46593265

IUPAC7-chloro-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCC(c2ccsc2)N(C)C)oc2c(Cl)cccc12
InChIInChI=1S/C18H19ClN2O2S/c1-11-13-5-4-6-14(19)17(13)23-16(11)18(22)20-9-15(21(2)3)12-7-8-24-10-12/h4-8,10,15H,9H2,1-3H3,(H,20,22)
InChIKeyVDPKYANVSUGVMU-UHFFFAOYSA-N
MW362.88 g/mol
LogP4.49
Rot. Bonds5

About 7-chloro-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-methyl-1-benzofuran-2-carboxamide

7-chloro-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 46593265) has the molecular formula C18H19ClN2O2S and a molecular weight of 362.88 g/mol. Its IUPAC name is 7-chloro-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-chloro-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-methyl-1-benzofuran-2-carboxamide
PubChem CID46593265
Molecular FormulaC18H19ClN2O2S
Molecular Weight362.88 g/mol
Exact Mass362.09
IUPAC Name7-chloro-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCC(c2ccsc2)N(C)C)oc2c(Cl)cccc12
InChIInChI=1S/C18H19ClN2O2S/c1-11-13-5-4-6-14(19)17(13)23-16(11)18(22)20-9-15(21(2)3)12-7-8-24-10-12/h4-8,10,15H,9H2,1-3H3,(H,20,22)
InChIKeyVDPKYANVSUGVMU-UHFFFAOYSA-N
XLogP4.49
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.88
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 8011985
7-chloro-N-ethyl-3-methyl-1-benzofuran-2-carboxamide
CID 47100020
N'-(3-chloro-2-methylphenyl)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]oxamide
CID 16932117
N-(2-amino-2-methylpropyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide;hydrochloride
CID 119627028
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-methylfuran-2-carboxamide
CID 32633181
1-N,4-N-bis[2-(dimethylamino)-2-thiophen-3-ylethyl]benzene-1,4-dicarboxamide
CID 46592184
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-methylbenzamide
CID 42549154
1-(2-chlorophenyl)-3-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea
CID 51896387
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2,6-dimethoxybenzamide
CID 16931120
7-chloro-3-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1-benzofuran-2-carboxamide
CID 87041238
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3,5-dimethylbenzamide
CID 42548990
N-(3-aminopropyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide;hydrochloride
CID 119405924

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of 7-chloro-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-methyl-1-benzofuran-2-carboxamide (CID 46593265) is 7-chloro-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-chloro-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-chloro-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)NCC(c2ccsc2)N(C)C)oc2c(Cl)cccc12.
What is the InChIKey of 7-chloro-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is VDPKYANVSUGVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2S/c1-11-13-5-4-6-14(19)17(13)23-16(11)18(22)20-9-15(21(2)3)12-7-8-24-10-12/h4-8,10,15H,9H2,1-3H3,(H,20,22).
What are the key properties of 7-chloro-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-methyl-1-benzofuran-2-carboxamide?
7-chloro-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 362.88 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 46593265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).