N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-4-phenylbutanamide

C20H21NO2S2 — CID 71804636

IUPACN-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)NCc1ccc(C(O)c2cccs2)s1
InChIInChI=1S/C20H21NO2S2/c22-19(10-4-8-15-6-2-1-3-7-15)21-14-16-11-12-18(25-16)20(23)17-9-5-13-24-17/h1-3,5-7,9,11-13,20,23H,4,8,10,14H2,(H,21,22)
InChIKeyPIVIPOCJSNDHDZ-UHFFFAOYSA-N
MW371.53 g/mol
LogP4.53
Rot. Bonds8

About N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-4-phenylbutanamide

N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-4-phenylbutanamide (PubChem CID 71804636) has the molecular formula C20H21NO2S2 and a molecular weight of 371.53 g/mol. Its IUPAC name is N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-4-phenylbutanamide.

Molecular Properties

Compound NameN-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-4-phenylbutanamide
PubChem CID71804636
Molecular FormulaC20H21NO2S2
Molecular Weight371.53 g/mol
Exact Mass371.10
IUPAC NameN-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)NCc1ccc(C(O)c2cccs2)s1
InChIInChI=1S/C20H21NO2S2/c22-19(10-4-8-15-6-2-1-3-7-15)21-14-16-11-12-18(25-16)20(23)17-9-5-13-24-17/h1-3,5-7,9,11-13,20,23H,4,8,10,14H2,(H,21,22)
InChIKeyPIVIPOCJSNDHDZ-UHFFFAOYSA-N
XLogP4.53
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2-phenylethyl)-2-thiophenecarboxamide
CID 2812766
Benzenemethanol, alpha-(1-((3,3-di-3-thienyl-2-propenyl)amino)ethyl)-, (R-(R*,S*))-
CID 3033341
(4R,5R)-5-((R)-Hydroxy-thiophen-2-yl-methyl)-4-phenyl-pyrrolidin-2-one
CID 44398156
N-(2-hydroxy-2-(thiophen-3-yl)ethyl)-2-(thiophen-2-yl)acetamide
CID 52992593
2-fluoro-N-(2-hydroxy-2-(thiophen-2-yl)ethyl)benzamide
CID 71683851
2-(4-fluorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]acetamide
CID 71781674
N-(2-hydroxy-2-(3-methylthiophen-2-yl)ethyl)-2-(4-(isopropylsulfonyl)phenyl)acetamide
CID 71781696
1-(4-fluorophenyl)-N-(2-hydroxy-2-(thiophen-2-yl)ethyl)cyclopropanecarboxamide
CID 71782447
2-fluoro-N-({5-[hydroxy(phenyl)methyl]thiophen-2-yl}methyl)benzamide
CID 73167895
N-(2-hydroxy-2-(thiophen-2-yl)ethyl)-3-(4-(trifluoromethyl)phenyl)propanamide
CID 76147816
N-[(S)-2-hydroxy-2-(3-methyl-2-thienyl)ethyl]2,6-difluorobenzamide
CID 95982652
N-[(S)-3-hydroxy-3-(2-thienyl)propyl]-4-methyl-2-thenamide
CID 96350392

Frequently Asked Questions

What is the IUPAC name of N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-4-phenylbutanamide?
The IUPAC name of N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-4-phenylbutanamide (CID 71804636) is N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-4-phenylbutanamide.
What is the SMILES notation for N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-4-phenylbutanamide?
The canonical SMILES for N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-4-phenylbutanamide is O=C(CCCc1ccccc1)NCc1ccc(C(O)c2cccs2)s1.
What is the InChIKey of N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-4-phenylbutanamide?
The InChIKey is PIVIPOCJSNDHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2S2/c22-19(10-4-8-15-6-2-1-3-7-15)21-14-16-11-12-18(25-16)20(23)17-9-5-13-24-17/h1-3,5-7,9,11-13,20,23H,4,8,10,14H2,(H,21,22).
What are the key properties of N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-4-phenylbutanamide?
N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-4-phenylbutanamide has a molecular weight of 371.53 g/mol, XLogP of 4.53, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-4-phenylbutanamide is sourced from PubChem (CID 71804636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).