N-[5-(diethylamino)pentan-2-yl]-N-[(4-phenylmethoxyphenyl)methyl]thiophene-2-carboxamide

C28H36N2O2S — CID 42700694

IUPACN-[5-(diethylamino)pentan-2-yl]-N-[(4-phenylmethoxyphenyl)methyl]thiophene-2-carboxamide
SMILESCCN(CC)CCCC(C)N(Cc1ccc(OCc2ccccc2)cc1)C(=O)c1cccs1
InChIInChI=1S/C28H36N2O2S/c1-4-29(5-2)19-9-11-23(3)30(28(31)27-14-10-20-33-27)21-24-15-17-26(18-16-24)32-22-25-12-7-6-8-13-25/h6-8,10,12-18,20,23H,4-5,9,11,19,21-22H2,1-3H3
InChIKeyWKSYUTFBAYVSHR-UHFFFAOYSA-N
MW464.68 g/mol
LogP6.48
Rot. Bonds13

About N-[5-(diethylamino)pentan-2-yl]-N-[(4-phenylmethoxyphenyl)methyl]thiophene-2-carboxamide

N-[5-(diethylamino)pentan-2-yl]-N-[(4-phenylmethoxyphenyl)methyl]thiophene-2-carboxamide (PubChem CID 42700694) has the molecular formula C28H36N2O2S and a molecular weight of 464.68 g/mol. Its IUPAC name is N-[5-(diethylamino)pentan-2-yl]-N-[(4-phenylmethoxyphenyl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-(diethylamino)pentan-2-yl]-N-[(4-phenylmethoxyphenyl)methyl]thiophene-2-carboxamide
PubChem CID42700694
Molecular FormulaC28H36N2O2S
Molecular Weight464.68 g/mol
Exact Mass464.25
IUPAC NameN-[5-(diethylamino)pentan-2-yl]-N-[(4-phenylmethoxyphenyl)methyl]thiophene-2-carboxamide
SMILESCCN(CC)CCCC(C)N(Cc1ccc(OCc2ccccc2)cc1)C(=O)c1cccs1
InChIInChI=1S/C28H36N2O2S/c1-4-29(5-2)19-9-11-23(3)30(28(31)27-14-10-20-33-27)21-24-15-17-26(18-16-24)32-22-25-12-7-6-8-13-25/h6-8,10,12-18,20,23H,4-5,9,11,19,21-22H2,1-3H3
InChIKeyWKSYUTFBAYVSHR-UHFFFAOYSA-N
XLogP6.48
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.68
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(4-chlorophenoxy)phenyl]methyl]-N-[5-(diethylamino)pentan-2-yl]thiophene-2-carboxamide
CID 42700380
1-[5-(diethylamino)pentan-2-yl]-3-(2-methoxyphenyl)-1-[(4-phenylmethoxyphenyl)methyl]urea
CID 42700707
N-[5-(diethylamino)pentan-2-yl]-N-[(4-ethoxyphenyl)methyl]naphthalene-2-carboxamide
CID 3573105
3-bromo-N-[5-(diethylamino)pentan-2-yl]-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide
CID 42704380
3-butyl-1-[5-(diethylamino)pentan-2-yl]-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]urea
CID 42708399
1-N,1-N-diethyl-4-N-[(4-phenylmethoxyphenyl)methyl]pentane-1,4-diamine
CID 3653274
4-[benzyl(ethyl)amino]-1-thiophen-2-ylbutan-1-one
CID 60687710
N-[3-methyl-1-oxo-1-[(4-phenylmethoxyphenyl)methylamino]butan-2-yl]thiophene-2-carboxamide
CID 55583269
(4S)-4-N,4-N-dibenzyl-1-N,1-N-diethylpentane-1,4-diamine
CID 155935553
N-benzhydryl-4-ethyl-N-[(4-phenylmethoxyphenyl)methyl]benzamide
CID 42710801
(2R)-1-[2-(diethylamino)ethyl]-4-hydroxy-2-(4-phenylmethoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 27303930
[2-oxo-2-(4-phenylmethoxyphenyl)ethyl]-[(2R)-pentan-2-yl]carbamic acid
CID 155069323

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylamino)pentan-2-yl]-N-[(4-phenylmethoxyphenyl)methyl]thiophene-2-carboxamide?
The IUPAC name of N-[5-(diethylamino)pentan-2-yl]-N-[(4-phenylmethoxyphenyl)methyl]thiophene-2-carboxamide (CID 42700694) is N-[5-(diethylamino)pentan-2-yl]-N-[(4-phenylmethoxyphenyl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[5-(diethylamino)pentan-2-yl]-N-[(4-phenylmethoxyphenyl)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[5-(diethylamino)pentan-2-yl]-N-[(4-phenylmethoxyphenyl)methyl]thiophene-2-carboxamide is CCN(CC)CCCC(C)N(Cc1ccc(OCc2ccccc2)cc1)C(=O)c1cccs1.
What is the InChIKey of N-[5-(diethylamino)pentan-2-yl]-N-[(4-phenylmethoxyphenyl)methyl]thiophene-2-carboxamide?
The InChIKey is WKSYUTFBAYVSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N2O2S/c1-4-29(5-2)19-9-11-23(3)30(28(31)27-14-10-20-33-27)21-24-15-17-26(18-16-24)32-22-25-12-7-6-8-13-25/h6-8,10,12-18,20,23H,4-5,9,11,19,21-22H2,1-3H3.
What are the key properties of N-[5-(diethylamino)pentan-2-yl]-N-[(4-phenylmethoxyphenyl)methyl]thiophene-2-carboxamide?
N-[5-(diethylamino)pentan-2-yl]-N-[(4-phenylmethoxyphenyl)methyl]thiophene-2-carboxamide has a molecular weight of 464.68 g/mol, XLogP of 6.48, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylamino)pentan-2-yl]-N-[(4-phenylmethoxyphenyl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 42700694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).