N-[1-[5-[(E)-2-(1-benzothiophen-3-yl)ethenyl]thiophen-2-yl]-1,3-dihydroxypropan-2-yl]acetamide

C19H19NO3S2 — CID 14696286

IUPACN-[1-[5-[(E)-2-(1-benzothiophen-3-yl)ethenyl]thiophen-2-yl]-1,3-dihydroxypropan-2-yl]acetamide
SMILESCC(=O)NC(CO)C(O)c1ccc(/C=C/c2csc3ccccc23)s1
InChIInChI=1S/C19H19NO3S2/c1-12(22)20-16(10-21)19(23)18-9-8-14(25-18)7-6-13-11-24-17-5-3-2-4-15(13)17/h2-9,11,16,19,21,23H,10H2,1H3,(H,20,22)/b7-6+
InChIKeyJQVCCLUVMMANDU-VOTSOKGWSA-N
MW373.50 g/mol
LogP3.66
Rot. Bonds6

About N-[1-[5-[(E)-2-(1-benzothiophen-3-yl)ethenyl]thiophen-2-yl]-1,3-dihydroxypropan-2-yl]acetamide

N-[1-[5-[(E)-2-(1-benzothiophen-3-yl)ethenyl]thiophen-2-yl]-1,3-dihydroxypropan-2-yl]acetamide (PubChem CID 14696286) has the molecular formula C19H19NO3S2 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-[1-[5-[(E)-2-(1-benzothiophen-3-yl)ethenyl]thiophen-2-yl]-1,3-dihydroxypropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-[5-[(E)-2-(1-benzothiophen-3-yl)ethenyl]thiophen-2-yl]-1,3-dihydroxypropan-2-yl]acetamide
PubChem CID14696286
Molecular FormulaC19H19NO3S2
Molecular Weight373.50 g/mol
Exact Mass373.08
IUPAC NameN-[1-[5-[(E)-2-(1-benzothiophen-3-yl)ethenyl]thiophen-2-yl]-1,3-dihydroxypropan-2-yl]acetamide
SMILESCC(=O)NC(CO)C(O)c1ccc(/C=C/c2csc3ccccc23)s1
InChIInChI=1S/C19H19NO3S2/c1-12(22)20-16(10-21)19(23)18-9-8-14(25-18)7-6-13-11-24-17-5-3-2-4-15(13)17/h2-9,11,16,19,21,23H,10H2,1H3,(H,20,22)/b7-6+
InChIKeyJQVCCLUVMMANDU-VOTSOKGWSA-N
XLogP3.66
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[5-[(E)-2-(1-benzothiophen-3-yl)ethenyl]thiophen-2-yl]methanol
CID 14696275
N-(1,3-dihydroxy-1-phenylpropan-2-yl)acetamide
CID 11735943
N-[(2R)-1-(1-benzothiophen-3-yl)-3-oxopropan-2-yl]acetamide
CID 87362441
ethyl (E,2S,3R)-5-(1-benzothiophen-3-yl)-2,3-dihydroxypent-4-enoate
CID 176649625
3-(1-benzothiophen-3-ylmethylidene)pentane-2,4-dione
CID 138594037
ethyl (E)-3-(1-benzothiophen-3-yl)prop-2-enoate
CID 67918737
N-[(E,2S,3R)-1,3-dihydroxy-5-phenylpent-4-en-2-yl]acetamide
CID 10752241
N-[(E)-1-benzothiophen-3-ylmethylideneamino]-4-(3-methylphenyl)-4-oxobutanamide
CID 172959429
2-(1-benzothiophen-3-ylamino)-3-methylbutan-1-ol
CID 115137355
N-[(E)-1-benzothiophen-3-ylmethylideneamino]-2-formamidoacetamide
CID 144580210
ethyl 2-acetamido-3-[5-[(E)-dodec-1-enyl]thiophen-2-yl]-3-hydroxypropanoate
CID 18372912
N-[(E,2S,3R)-1,3-dihydroxy-5-(4-phenylphenyl)pent-4-en-2-yl]acetamide
CID 118714809

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-[(E)-2-(1-benzothiophen-3-yl)ethenyl]thiophen-2-yl]-1,3-dihydroxypropan-2-yl]acetamide?
The IUPAC name of N-[1-[5-[(E)-2-(1-benzothiophen-3-yl)ethenyl]thiophen-2-yl]-1,3-dihydroxypropan-2-yl]acetamide (CID 14696286) is N-[1-[5-[(E)-2-(1-benzothiophen-3-yl)ethenyl]thiophen-2-yl]-1,3-dihydroxypropan-2-yl]acetamide.
What is the SMILES notation for N-[1-[5-[(E)-2-(1-benzothiophen-3-yl)ethenyl]thiophen-2-yl]-1,3-dihydroxypropan-2-yl]acetamide?
The canonical SMILES for N-[1-[5-[(E)-2-(1-benzothiophen-3-yl)ethenyl]thiophen-2-yl]-1,3-dihydroxypropan-2-yl]acetamide is CC(=O)NC(CO)C(O)c1ccc(/C=C/c2csc3ccccc23)s1.
What is the InChIKey of N-[1-[5-[(E)-2-(1-benzothiophen-3-yl)ethenyl]thiophen-2-yl]-1,3-dihydroxypropan-2-yl]acetamide?
The InChIKey is JQVCCLUVMMANDU-VOTSOKGWSA-N. The full InChI is InChI=1S/C19H19NO3S2/c1-12(22)20-16(10-21)19(23)18-9-8-14(25-18)7-6-13-11-24-17-5-3-2-4-15(13)17/h2-9,11,16,19,21,23H,10H2,1H3,(H,20,22)/b7-6+.
What are the key properties of N-[1-[5-[(E)-2-(1-benzothiophen-3-yl)ethenyl]thiophen-2-yl]-1,3-dihydroxypropan-2-yl]acetamide?
N-[1-[5-[(E)-2-(1-benzothiophen-3-yl)ethenyl]thiophen-2-yl]-1,3-dihydroxypropan-2-yl]acetamide has a molecular weight of 373.50 g/mol, XLogP of 3.66, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-[(E)-2-(1-benzothiophen-3-yl)ethenyl]thiophen-2-yl]-1,3-dihydroxypropan-2-yl]acetamide is sourced from PubChem (CID 14696286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).