N-[3-(4-bromobenzoyl)-5-ethylthiophen-2-yl]-2-(diethylamino)acetamide

C19H23BrN2O2S — CID 1442550

IUPACN-[3-(4-bromobenzoyl)-5-ethylthiophen-2-yl]-2-(diethylamino)acetamide
SMILESCCc1cc(C(=O)c2ccc(Br)cc2)c(NC(=O)CN(CC)CC)s1
InChIInChI=1S/C19H23BrN2O2S/c1-4-15-11-16(18(24)13-7-9-14(20)10-8-13)19(25-15)21-17(23)12-22(5-2)6-3/h7-11H,4-6,12H2,1-3H3,(H,21,23)
InChIKeyBHSRRSSPLRUDNV-UHFFFAOYSA-N
MW423.38 g/mol
LogP4.58
Rot. Bonds8

About N-[3-(4-bromobenzoyl)-5-ethylthiophen-2-yl]-2-(diethylamino)acetamide

N-[3-(4-bromobenzoyl)-5-ethylthiophen-2-yl]-2-(diethylamino)acetamide (PubChem CID 1442550) has the molecular formula C19H23BrN2O2S and a molecular weight of 423.38 g/mol. Its IUPAC name is N-[3-(4-bromobenzoyl)-5-ethylthiophen-2-yl]-2-(diethylamino)acetamide.

Molecular Properties

Compound NameN-[3-(4-bromobenzoyl)-5-ethylthiophen-2-yl]-2-(diethylamino)acetamide
PubChem CID1442550
Molecular FormulaC19H23BrN2O2S
Molecular Weight423.38 g/mol
Exact Mass422.07
IUPAC NameN-[3-(4-bromobenzoyl)-5-ethylthiophen-2-yl]-2-(diethylamino)acetamide
SMILESCCc1cc(C(=O)c2ccc(Br)cc2)c(NC(=O)CN(CC)CC)s1
InChIInChI=1S/C19H23BrN2O2S/c1-4-15-11-16(18(24)13-7-9-14(20)10-8-13)19(25-15)21-17(23)12-22(5-2)6-3/h7-11H,4-6,12H2,1-3H3,(H,21,23)
InChIKeyBHSRRSSPLRUDNV-UHFFFAOYSA-N
XLogP4.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.38
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-bromobenzoyl)-5-ethylthiophen-2-yl]-2-(diethylamino)acetamide?
The IUPAC name of N-[3-(4-bromobenzoyl)-5-ethylthiophen-2-yl]-2-(diethylamino)acetamide (CID 1442550) is N-[3-(4-bromobenzoyl)-5-ethylthiophen-2-yl]-2-(diethylamino)acetamide.
What is the SMILES notation for N-[3-(4-bromobenzoyl)-5-ethylthiophen-2-yl]-2-(diethylamino)acetamide?
The canonical SMILES for N-[3-(4-bromobenzoyl)-5-ethylthiophen-2-yl]-2-(diethylamino)acetamide is CCc1cc(C(=O)c2ccc(Br)cc2)c(NC(=O)CN(CC)CC)s1.
What is the InChIKey of N-[3-(4-bromobenzoyl)-5-ethylthiophen-2-yl]-2-(diethylamino)acetamide?
The InChIKey is BHSRRSSPLRUDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O2S/c1-4-15-11-16(18(24)13-7-9-14(20)10-8-13)19(25-15)21-17(23)12-22(5-2)6-3/h7-11H,4-6,12H2,1-3H3,(H,21,23).
What are the key properties of N-[3-(4-bromobenzoyl)-5-ethylthiophen-2-yl]-2-(diethylamino)acetamide?
N-[3-(4-bromobenzoyl)-5-ethylthiophen-2-yl]-2-(diethylamino)acetamide has a molecular weight of 423.38 g/mol, XLogP of 4.58, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-bromobenzoyl)-5-ethylthiophen-2-yl]-2-(diethylamino)acetamide is sourced from PubChem (CID 1442550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).