N-(1-benzylpiperidin-4-yl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide

C24H26N4O2S — CID 78850266

IUPACN-(1-benzylpiperidin-4-yl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1)Nc1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)s1
InChIInChI=1S/C24H26N4O2S/c29-23(25-20-13-15-28(16-14-20)17-18-7-3-1-4-8-18)21-11-12-22(31-21)27-24(30)26-19-9-5-2-6-10-19/h1-12,20H,13-17H2,(H,25,29)(H2,26,27,30)
InChIKeyCZSNFQOAEQVEQV-UHFFFAOYSA-N
MW434.57 g/mol
LogP4.79
Rot. Bonds6

About N-(1-benzylpiperidin-4-yl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide

N-(1-benzylpiperidin-4-yl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide (PubChem CID 78850266) has the molecular formula C24H26N4O2S and a molecular weight of 434.57 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide
PubChem CID78850266
Molecular FormulaC24H26N4O2S
Molecular Weight434.57 g/mol
Exact Mass434.18
IUPAC NameN-(1-benzylpiperidin-4-yl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1)Nc1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)s1
InChIInChI=1S/C24H26N4O2S/c29-23(25-20-13-15-28(16-14-20)17-18-7-3-1-4-8-18)21-11-12-22(31-21)27-24(30)26-19-9-5-2-6-10-19/h1-12,20H,13-17H2,(H,25,29)(H2,26,27,30)
InChIKeyCZSNFQOAEQVEQV-UHFFFAOYSA-N
XLogP4.79
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.57
LogP ≤ 54.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(phenylcarbamoylamino)-N-piperidin-4-ylthiophene-2-carboxamide;hydrochloride
CID 119387776
5-(phenylcarbamoylamino)-N-(1-pyridin-2-ylpiperidin-4-yl)thiophene-2-carboxamide
CID 78885519
N-(1-benzylpiperidin-4-yl)-5-[4-(cyclopropylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 117081019
1-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)urea
CID 6465310
N-(1-benzylpiperidin-4-yl)-5-(2,3-dihydro-1,4-benzothiazin-4-yl)thiophene-2-carboxamide
CID 20944317
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 127300730
1-(1-benzylpiperidin-4-yl)-3-[(1S)-1-[4-(phenylcarbamoylamino)phenyl]ethyl]urea
CID 51726136
N-[1-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]piperidin-4-yl]-5-methylthiophene-2-carboxamide
CID 60606891
N-(1-benzylpiperidin-4-yl)-4-[(2-chloroacetyl)amino]benzamide
CID 3044759
N-(1-benzylpiperidin-4-yl)-4-(cyclopropanecarbonylamino)benzamide
CID 27673222
1-(1-benzylpiperidin-4-yl)-3-(4-propan-2-ylphenyl)urea
CID 3730510
N-(1-benzylpyrrolidin-3-yl)-5-methylsulfanylthiophene-2-carboxamide
CID 3811032

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide (CID 78850266) is N-(1-benzylpiperidin-4-yl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide is O=C(Nc1ccccc1)Nc1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)s1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide?
The InChIKey is CZSNFQOAEQVEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2S/c29-23(25-20-13-15-28(16-14-20)17-18-7-3-1-4-8-18)21-11-12-22(31-21)27-24(30)26-19-9-5-2-6-10-19/h1-12,20H,13-17H2,(H,25,29)(H2,26,27,30).
What are the key properties of N-(1-benzylpiperidin-4-yl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide?
N-(1-benzylpiperidin-4-yl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide has a molecular weight of 434.57 g/mol, XLogP of 4.79, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide is sourced from PubChem (CID 78850266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).