1-(5-chlorothiophen-2-yl)-2-[ethyl(thiophen-2-ylmethyl)amino]propan-1-one

C14H16ClNOS2 — CID 62036547

IUPAC1-(5-chlorothiophen-2-yl)-2-[ethyl(thiophen-2-ylmethyl)amino]propan-1-one
SMILESCCN(Cc1cccs1)C(C)C(=O)c1ccc(Cl)s1
InChIInChI=1S/C14H16ClNOS2/c1-3-16(9-11-5-4-8-18-11)10(2)14(17)12-6-7-13(15)19-12/h4-8,10H,3,9H2,1-2H3
InChIKeyDPDYUHBDRGFUND-UHFFFAOYSA-N
MW313.88 g/mol
LogP4.56
Rot. Bonds6

About 1-(5-chlorothiophen-2-yl)-2-[ethyl(thiophen-2-ylmethyl)amino]propan-1-one

1-(5-chlorothiophen-2-yl)-2-[ethyl(thiophen-2-ylmethyl)amino]propan-1-one (PubChem CID 62036547) has the molecular formula C14H16ClNOS2 and a molecular weight of 313.88 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-[ethyl(thiophen-2-ylmethyl)amino]propan-1-one.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-[ethyl(thiophen-2-ylmethyl)amino]propan-1-one
PubChem CID62036547
Molecular FormulaC14H16ClNOS2
Molecular Weight313.88 g/mol
Exact Mass313.04
IUPAC Name1-(5-chlorothiophen-2-yl)-2-[ethyl(thiophen-2-ylmethyl)amino]propan-1-one
SMILESCCN(Cc1cccs1)C(C)C(=O)c1ccc(Cl)s1
InChIInChI=1S/C14H16ClNOS2/c1-3-16(9-11-5-4-8-18-11)10(2)14(17)12-6-7-13(15)19-12/h4-8,10H,3,9H2,1-2H3
InChIKeyDPDYUHBDRGFUND-UHFFFAOYSA-N
XLogP4.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.88
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chlorothiophen-2-yl)-2-[methyl(2-thiophen-2-ylethyl)amino]propan-1-one
CID 79485799
1-(3-chlorophenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]propan-1-one
CID 62037712
2-[[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]-ethylamino]-N-methylacetamide
CID 62051078
2-[butan-2-yl(ethyl)amino]-1-(5-chlorothiophen-2-yl)propan-1-one
CID 43795957
(2S)-2-[ethyl(thiophen-2-ylmethyl)amino]-N-(4-propan-2-ylphenyl)propanamide
CID 8718457
1-(5-chlorothiophen-2-yl)-2-[methyl(pentan-3-yl)amino]propan-1-one
CID 43796847
1-(5-chlorothiophen-2-yl)-2-(N-ethyl-2-methylanilino)propan-1-one
CID 43794159
1-(5-chlorothiophen-2-yl)-3-(diethylamino)-2-methylpropan-1-one
CID 112510682
2-[[ethyl(thiophen-2-ylmethyl)carbamoyl]-methylamino]propanoic acid
CID 55097027
1-(5-chlorothiophen-2-yl)-2-[methyl-[(4-methylphenyl)methyl]amino]propan-1-one
CID 62050574
1-(5-chlorothiophen-2-yl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propan-1-one
CID 62051006
3-[[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]-methylamino]-N-methylpropanamide
CID 106916452

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-[ethyl(thiophen-2-ylmethyl)amino]propan-1-one?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-[ethyl(thiophen-2-ylmethyl)amino]propan-1-one (CID 62036547) is 1-(5-chlorothiophen-2-yl)-2-[ethyl(thiophen-2-ylmethyl)amino]propan-1-one.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-[ethyl(thiophen-2-ylmethyl)amino]propan-1-one?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-[ethyl(thiophen-2-ylmethyl)amino]propan-1-one is CCN(Cc1cccs1)C(C)C(=O)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-[ethyl(thiophen-2-ylmethyl)amino]propan-1-one?
The InChIKey is DPDYUHBDRGFUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNOS2/c1-3-16(9-11-5-4-8-18-11)10(2)14(17)12-6-7-13(15)19-12/h4-8,10H,3,9H2,1-2H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-[ethyl(thiophen-2-ylmethyl)amino]propan-1-one?
1-(5-chlorothiophen-2-yl)-2-[ethyl(thiophen-2-ylmethyl)amino]propan-1-one has a molecular weight of 313.88 g/mol, XLogP of 4.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-2-[ethyl(thiophen-2-ylmethyl)amino]propan-1-one is sourced from PubChem (CID 62036547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).