4-[[(5-chlorothiophen-2-yl)methyl-ethylamino]methyl]benzamide

C15H17ClN2OS — CID 34704743

IUPAC4-[[(5-chlorothiophen-2-yl)methyl-ethylamino]methyl]benzamide
SMILESCCN(Cc1ccc(C(N)=O)cc1)Cc1ccc(Cl)s1
InChIInChI=1S/C15H17ClN2OS/c1-2-18(10-13-7-8-14(16)20-13)9-11-3-5-12(6-4-11)15(17)19/h3-8H,2,9-10H2,1H3,(H2,17,19)
InChIKeyYIROKJJPQRLTTI-UHFFFAOYSA-N
MW308.83 g/mol
LogP3.52
Rot. Bonds6

About 4-[[(5-chlorothiophen-2-yl)methyl-ethylamino]methyl]benzamide

4-[[(5-chlorothiophen-2-yl)methyl-ethylamino]methyl]benzamide (PubChem CID 34704743) has the molecular formula C15H17ClN2OS and a molecular weight of 308.83 g/mol. Its IUPAC name is 4-[[(5-chlorothiophen-2-yl)methyl-ethylamino]methyl]benzamide.

Molecular Properties

Compound Name4-[[(5-chlorothiophen-2-yl)methyl-ethylamino]methyl]benzamide
PubChem CID34704743
Molecular FormulaC15H17ClN2OS
Molecular Weight308.83 g/mol
Exact Mass308.08
IUPAC Name4-[[(5-chlorothiophen-2-yl)methyl-ethylamino]methyl]benzamide
SMILESCCN(Cc1ccc(C(N)=O)cc1)Cc1ccc(Cl)s1
InChIInChI=1S/C15H17ClN2OS/c1-2-18(10-13-7-8-14(16)20-13)9-11-3-5-12(6-4-11)15(17)19/h3-8H,2,9-10H2,1H3,(H2,17,19)
InChIKeyYIROKJJPQRLTTI-UHFFFAOYSA-N
XLogP3.52
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.83
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]benzamide
CID 17399698
methyl 2-[(4-chlorophenyl)methyl-[(5-chlorothiophen-2-yl)methyl]amino]acetate
CID 60565308
N-[[4-[[(5-chlorothiophen-2-yl)methylamino]methyl]phenyl]methyl]-N-ethylethanamine
CID 29047393
3,5-diamino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzamide
CID 61116550
2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-methyl-N-propan-2-ylacetamide
CID 86908502
1-[4-(diethylaminomethyl)phenyl]ethanone
CID 11571995
4-(carbamoylamino)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzamide
CID 39911710
2-[(5-chlorothiophen-2-yl)methyl-propylamino]ethanol
CID 60692382
2-[(4-carbamoylphenyl)methyl-(carboxymethyl)amino]acetic acid
CID 63645116
2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-prop-2-ynylacetamide
CID 27072038
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(4-ethylphenyl)propan-1-one
CID 63565949
4-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylcyclopent-2-ene-1-carboxamide
CID 79210713

Frequently Asked Questions

What is the IUPAC name of 4-[[(5-chlorothiophen-2-yl)methyl-ethylamino]methyl]benzamide?
The IUPAC name of 4-[[(5-chlorothiophen-2-yl)methyl-ethylamino]methyl]benzamide (CID 34704743) is 4-[[(5-chlorothiophen-2-yl)methyl-ethylamino]methyl]benzamide.
What is the SMILES notation for 4-[[(5-chlorothiophen-2-yl)methyl-ethylamino]methyl]benzamide?
The canonical SMILES for 4-[[(5-chlorothiophen-2-yl)methyl-ethylamino]methyl]benzamide is CCN(Cc1ccc(C(N)=O)cc1)Cc1ccc(Cl)s1.
What is the InChIKey of 4-[[(5-chlorothiophen-2-yl)methyl-ethylamino]methyl]benzamide?
The InChIKey is YIROKJJPQRLTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2OS/c1-2-18(10-13-7-8-14(16)20-13)9-11-3-5-12(6-4-11)15(17)19/h3-8H,2,9-10H2,1H3,(H2,17,19).
What are the key properties of 4-[[(5-chlorothiophen-2-yl)methyl-ethylamino]methyl]benzamide?
4-[[(5-chlorothiophen-2-yl)methyl-ethylamino]methyl]benzamide has a molecular weight of 308.83 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5-chlorothiophen-2-yl)methyl-ethylamino]methyl]benzamide is sourced from PubChem (CID 34704743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).