3-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]benzamide

C15H18N2O3S — CID 107811165

IUPAC3-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]benzamide
SMILESNC(=O)c1cccc(NCC(O)COCc2cccs2)c1
InChIInChI=1S/C15H18N2O3S/c16-15(19)11-3-1-4-12(7-11)17-8-13(18)9-20-10-14-5-2-6-21-14/h1-7,13,17-18H,8-10H2,(H2,16,19)
InChIKeyFWYSEFIQMFMAQG-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.84
Rot. Bonds8

About 3-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]benzamide

3-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]benzamide (PubChem CID 107811165) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 3-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]benzamide.

Molecular Properties

Compound Name3-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]benzamide
PubChem CID107811165
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name3-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]benzamide
SMILESNC(=O)c1cccc(NCC(O)COCc2cccs2)c1
InChIInChI=1S/C15H18N2O3S/c16-15(19)11-3-1-4-12(7-11)17-8-13(18)9-20-10-14-5-2-6-21-14/h1-7,13,17-18H,8-10H2,(H2,16,19)
InChIKeyFWYSEFIQMFMAQG-UHFFFAOYSA-N
XLogP1.84
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chloroanilino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 60896435
1-(3-iodoanilino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 60899650
1-(1,3-benzothiazol-6-ylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 107804841
3-[(2-hydroxy-3-propan-2-yloxypropyl)amino]benzamide
CID 107811092
1-(4-bromo-3-methoxyanilino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 82860841
N-[3-[1-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]ethyl]phenyl]benzamide
CID 112840104
ethyl 2-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]acetate
CID 54937741
1-(2-methoxyanilino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 60898787
3-[(3-cyclopentyloxy-2-hydroxypropyl)amino]benzamide
CID 107811167
1-(5-chloro-2-fluoroanilino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 60910138
1-(2,2-dimethylpropylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 61167409
1-(4-fluoro-2-iodoanilino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 79769188

Frequently Asked Questions

What is the IUPAC name of 3-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]benzamide?
The IUPAC name of 3-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]benzamide (CID 107811165) is 3-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]benzamide.
What is the SMILES notation for 3-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]benzamide?
The canonical SMILES for 3-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]benzamide is NC(=O)c1cccc(NCC(O)COCc2cccs2)c1.
What is the InChIKey of 3-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]benzamide?
The InChIKey is FWYSEFIQMFMAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c16-15(19)11-3-1-4-12(7-11)17-8-13(18)9-20-10-14-5-2-6-21-14/h1-7,13,17-18H,8-10H2,(H2,16,19).
What are the key properties of 3-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]benzamide?
3-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]benzamide has a molecular weight of 306.39 g/mol, XLogP of 1.84, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]benzamide is sourced from PubChem (CID 107811165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).