[2-amino-5-[2-[4-(2-methylpropyl)phenyl]ethyl]thiophen-3-yl]-(2-chlorophenyl)methanone

C23H24ClNOS — CID 10692227

IUPAC[2-amino-5-[2-[4-(2-methylpropyl)phenyl]ethyl]thiophen-3-yl]-(2-chlorophenyl)methanone
SMILESCC(C)Cc1ccc(CCc2cc(C(=O)c3ccccc3Cl)c(N)s2)cc1
InChIInChI=1S/C23H24ClNOS/c1-15(2)13-17-9-7-16(8-10-17)11-12-18-14-20(23(25)27-18)22(26)19-5-3-4-6-21(19)24/h3-10,14-15H,11-13,25H2,1-2H3
InChIKeyODVOIOMIVLAKAN-UHFFFAOYSA-N
MW397.97 g/mol
LogP6.20
Rot. Bonds7

About [2-amino-5-[2-[4-(2-methylpropyl)phenyl]ethyl]thiophen-3-yl]-(2-chlorophenyl)methanone

[2-amino-5-[2-[4-(2-methylpropyl)phenyl]ethyl]thiophen-3-yl]-(2-chlorophenyl)methanone (PubChem CID 10692227) has the molecular formula C23H24ClNOS and a molecular weight of 397.97 g/mol. Its IUPAC name is [2-amino-5-[2-[4-(2-methylpropyl)phenyl]ethyl]thiophen-3-yl]-(2-chlorophenyl)methanone.

Molecular Properties

Compound Name[2-amino-5-[2-[4-(2-methylpropyl)phenyl]ethyl]thiophen-3-yl]-(2-chlorophenyl)methanone
PubChem CID10692227
Molecular FormulaC23H24ClNOS
Molecular Weight397.97 g/mol
Exact Mass397.13
IUPAC Name[2-amino-5-[2-[4-(2-methylpropyl)phenyl]ethyl]thiophen-3-yl]-(2-chlorophenyl)methanone
SMILESCC(C)Cc1ccc(CCc2cc(C(=O)c3ccccc3Cl)c(N)s2)cc1
InChIInChI=1S/C23H24ClNOS/c1-15(2)13-17-9-7-16(8-10-17)11-12-18-14-20(23(25)27-18)22(26)19-5-3-4-6-21(19)24/h3-10,14-15H,11-13,25H2,1-2H3
InChIKeyODVOIOMIVLAKAN-UHFFFAOYSA-N
XLogP6.20
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.97
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-amino-5-[2-[4-(2-methylpropyl)phenyl]ethyl]thiophen-3-yl]-(2-chlorophenyl)methanone?
The IUPAC name of [2-amino-5-[2-[4-(2-methylpropyl)phenyl]ethyl]thiophen-3-yl]-(2-chlorophenyl)methanone (CID 10692227) is [2-amino-5-[2-[4-(2-methylpropyl)phenyl]ethyl]thiophen-3-yl]-(2-chlorophenyl)methanone.
What is the SMILES notation for [2-amino-5-[2-[4-(2-methylpropyl)phenyl]ethyl]thiophen-3-yl]-(2-chlorophenyl)methanone?
The canonical SMILES for [2-amino-5-[2-[4-(2-methylpropyl)phenyl]ethyl]thiophen-3-yl]-(2-chlorophenyl)methanone is CC(C)Cc1ccc(CCc2cc(C(=O)c3ccccc3Cl)c(N)s2)cc1.
What is the InChIKey of [2-amino-5-[2-[4-(2-methylpropyl)phenyl]ethyl]thiophen-3-yl]-(2-chlorophenyl)methanone?
The InChIKey is ODVOIOMIVLAKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClNOS/c1-15(2)13-17-9-7-16(8-10-17)11-12-18-14-20(23(25)27-18)22(26)19-5-3-4-6-21(19)24/h3-10,14-15H,11-13,25H2,1-2H3.
What are the key properties of [2-amino-5-[2-[4-(2-methylpropyl)phenyl]ethyl]thiophen-3-yl]-(2-chlorophenyl)methanone?
[2-amino-5-[2-[4-(2-methylpropyl)phenyl]ethyl]thiophen-3-yl]-(2-chlorophenyl)methanone has a molecular weight of 397.97 g/mol, XLogP of 6.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-5-[2-[4-(2-methylpropyl)phenyl]ethyl]thiophen-3-yl]-(2-chlorophenyl)methanone is sourced from PubChem (CID 10692227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).