N-[3-[1-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]ethyl]phenyl]benzamide

C23H26N2O3S — CID 112840104

IUPACN-[3-[1-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]ethyl]phenyl]benzamide
SMILESCC(NCC(O)COCc1cccs1)c1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C23H26N2O3S/c1-17(24-14-21(26)15-28-16-22-11-6-12-29-22)19-9-5-10-20(13-19)25-23(27)18-7-3-2-4-8-18/h2-13,17,21,24,26H,14-16H2,1H3,(H,25,27)
InChIKeyNXGILNMEKYSDJU-UHFFFAOYSA-N
MW410.54 g/mol
LogP4.23
Rot. Bonds10

About N-[3-[1-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]ethyl]phenyl]benzamide

N-[3-[1-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]ethyl]phenyl]benzamide (PubChem CID 112840104) has the molecular formula C23H26N2O3S and a molecular weight of 410.54 g/mol. Its IUPAC name is N-[3-[1-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]ethyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[3-[1-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]ethyl]phenyl]benzamide
PubChem CID112840104
Molecular FormulaC23H26N2O3S
Molecular Weight410.54 g/mol
Exact Mass410.17
IUPAC NameN-[3-[1-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]ethyl]phenyl]benzamide
SMILESCC(NCC(O)COCc1cccs1)c1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C23H26N2O3S/c1-17(24-14-21(26)15-28-16-22-11-6-12-29-22)19-9-5-10-20(13-19)25-23(27)18-7-3-2-4-8-18/h2-13,17,21,24,26H,14-16H2,1H3,(H,25,27)
InChIKeyNXGILNMEKYSDJU-UHFFFAOYSA-N
XLogP4.23
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[1-[(3-ethoxy-2-hydroxypropyl)amino]ethyl]phenyl]acetamide
CID 63931523
1-[1-(3-bromo-4-methoxyphenyl)ethylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 112799340
3-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]benzamide
CID 107811165
1-(pentan-2-ylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 60634664
2-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]-3-methylbutan-1-ol
CID 79248985
(2R)-1-(3-propan-2-yloxypropylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 2119639
N-[3-[1-(3-benzamidophenyl)ethylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 55693558
1-(3-chloroanilino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 60896435
1-(3-iodoanilino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 60899650
N-[3-[1-(2-hydroxybutylamino)ethyl]phenyl]acetamide
CID 54880370
(2R)-1-[[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 98285003
N-[3-[1-[(2-hydroxy-4-methylpentyl)amino]ethyl]phenyl]acetamide
CID 103779662

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]ethyl]phenyl]benzamide?
The IUPAC name of N-[3-[1-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]ethyl]phenyl]benzamide (CID 112840104) is N-[3-[1-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]ethyl]phenyl]benzamide.
What is the SMILES notation for N-[3-[1-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]ethyl]phenyl]benzamide?
The canonical SMILES for N-[3-[1-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]ethyl]phenyl]benzamide is CC(NCC(O)COCc1cccs1)c1cccc(NC(=O)c2ccccc2)c1.
What is the InChIKey of N-[3-[1-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]ethyl]phenyl]benzamide?
The InChIKey is NXGILNMEKYSDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3S/c1-17(24-14-21(26)15-28-16-22-11-6-12-29-22)19-9-5-10-20(13-19)25-23(27)18-7-3-2-4-8-18/h2-13,17,21,24,26H,14-16H2,1H3,(H,25,27).
What are the key properties of N-[3-[1-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]ethyl]phenyl]benzamide?
N-[3-[1-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]ethyl]phenyl]benzamide has a molecular weight of 410.54 g/mol, XLogP of 4.23, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]ethyl]phenyl]benzamide is sourced from PubChem (CID 112840104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).