N-[4-[(1-benzylpyrrolidin-3-yl)amino]-4-oxobutyl]thiophene-3-carboxamide

C20H25N3O2S — CID 18156372

IUPACN-[4-[(1-benzylpyrrolidin-3-yl)amino]-4-oxobutyl]thiophene-3-carboxamide
SMILESO=C(CCCNC(=O)c1ccsc1)NC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C20H25N3O2S/c24-19(7-4-10-21-20(25)17-9-12-26-15-17)22-18-8-11-23(14-18)13-16-5-2-1-3-6-16/h1-3,5-6,9,12,15,18H,4,7-8,10-11,13-14H2,(H,21,25)(H,22,24)
InChIKeyJIKQOIGBXYJWSI-UHFFFAOYSA-N
MW371.51 g/mol
LogP2.65
Rot. Bonds8

About N-[4-[(1-benzylpyrrolidin-3-yl)amino]-4-oxobutyl]thiophene-3-carboxamide

N-[4-[(1-benzylpyrrolidin-3-yl)amino]-4-oxobutyl]thiophene-3-carboxamide (PubChem CID 18156372) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is N-[4-[(1-benzylpyrrolidin-3-yl)amino]-4-oxobutyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(1-benzylpyrrolidin-3-yl)amino]-4-oxobutyl]thiophene-3-carboxamide
PubChem CID18156372
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC NameN-[4-[(1-benzylpyrrolidin-3-yl)amino]-4-oxobutyl]thiophene-3-carboxamide
SMILESO=C(CCCNC(=O)c1ccsc1)NC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C20H25N3O2S/c24-19(7-4-10-21-20(25)17-9-12-26-15-17)22-18-8-11-23(14-18)13-16-5-2-1-3-6-16/h1-3,5-6,9,12,15,18H,4,7-8,10-11,13-14H2,(H,21,25)(H,22,24)
InChIKeyJIKQOIGBXYJWSI-UHFFFAOYSA-N
XLogP2.65
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(1-benzylpiperidin-4-yl)amino]-4-oxobutyl]-4-chlorobenzamide
CID 27673315
N-[(3R)-1-benzylpyrrolidin-3-yl]-4-phenylbutanamide
CID 51947538
4-oxo-4-phenyl-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]butanamide
CID 126851463
N-[4-[(1-methylsulfonylpiperidin-3-yl)amino]-4-oxobutyl]thiophene-3-carboxamide
CID 47909584
N-[3-[(1-benzylpyrrolidin-3-yl)amino]-3-oxopropyl]-2-methylbenzamide
CID 24633033
N-[4-oxo-4-(2-phenylethylamino)butyl]thiophene-3-carboxamide
CID 18108696
N-(1-benzylpyrrolidin-3-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 18156427
N-(1-benzylpyrrolidin-3-yl)-3-(ethylamino)propanamide
CID 62833579
4-amino-N-(1-benzylpyrrolidin-3-yl)benzamide
CID 21330045
2-amino-N-[(3R)-1-benzylpyrrolidin-3-yl]acetamide
CID 93027730
N-[4-[3-(4-methylpiperidin-1-yl)propylamino]-4-oxobutyl]thiophene-3-carboxamide
CID 35417013
N-(1-benzylpyrrolidin-3-yl)-5-thiophen-3-yl-1H-pyrazole-4-carboxamide
CID 139011250

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1-benzylpyrrolidin-3-yl)amino]-4-oxobutyl]thiophene-3-carboxamide?
The IUPAC name of N-[4-[(1-benzylpyrrolidin-3-yl)amino]-4-oxobutyl]thiophene-3-carboxamide (CID 18156372) is N-[4-[(1-benzylpyrrolidin-3-yl)amino]-4-oxobutyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[4-[(1-benzylpyrrolidin-3-yl)amino]-4-oxobutyl]thiophene-3-carboxamide?
The canonical SMILES for N-[4-[(1-benzylpyrrolidin-3-yl)amino]-4-oxobutyl]thiophene-3-carboxamide is O=C(CCCNC(=O)c1ccsc1)NC1CCN(Cc2ccccc2)C1.
What is the InChIKey of N-[4-[(1-benzylpyrrolidin-3-yl)amino]-4-oxobutyl]thiophene-3-carboxamide?
The InChIKey is JIKQOIGBXYJWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c24-19(7-4-10-21-20(25)17-9-12-26-15-17)22-18-8-11-23(14-18)13-16-5-2-1-3-6-16/h1-3,5-6,9,12,15,18H,4,7-8,10-11,13-14H2,(H,21,25)(H,22,24).
What are the key properties of N-[4-[(1-benzylpyrrolidin-3-yl)amino]-4-oxobutyl]thiophene-3-carboxamide?
N-[4-[(1-benzylpyrrolidin-3-yl)amino]-4-oxobutyl]thiophene-3-carboxamide has a molecular weight of 371.51 g/mol, XLogP of 2.65, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1-benzylpyrrolidin-3-yl)amino]-4-oxobutyl]thiophene-3-carboxamide is sourced from PubChem (CID 18156372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).