4-[[3-[methylsulfonyl(3-phenylpropyl)amino]-2-oxopyrrolidin-1-yl]methyl]thiophene-2-carboximidamide

C20H26N4O3S2 — CID 67366085

IUPAC4-[[3-[methylsulfonyl(3-phenylpropyl)amino]-2-oxopyrrolidin-1-yl]methyl]thiophene-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(CN2CCC(N(CCCc3ccccc3)S(C)(=O)=O)C2=O)cs1
InChIInChI=1S/C20H26N4O3S2/c1-29(26,27)24(10-5-8-15-6-3-2-4-7-15)17-9-11-23(20(17)25)13-16-12-18(19(21)22)28-14-16/h2-4,6-7,12,14,17H,5,8-11,13H2,1H3,(H3,21,22)
InChIKeyPRQNUELZKQBHRX-UHFFFAOYSA-N
MW434.59 g/mol
LogP2.03
Rot. Bonds9

About 4-[[3-[methylsulfonyl(3-phenylpropyl)amino]-2-oxopyrrolidin-1-yl]methyl]thiophene-2-carboximidamide

4-[[3-[methylsulfonyl(3-phenylpropyl)amino]-2-oxopyrrolidin-1-yl]methyl]thiophene-2-carboximidamide (PubChem CID 67366085) has the molecular formula C20H26N4O3S2 and a molecular weight of 434.59 g/mol. Its IUPAC name is 4-[[3-[methylsulfonyl(3-phenylpropyl)amino]-2-oxopyrrolidin-1-yl]methyl]thiophene-2-carboximidamide.

Molecular Properties

Compound Name4-[[3-[methylsulfonyl(3-phenylpropyl)amino]-2-oxopyrrolidin-1-yl]methyl]thiophene-2-carboximidamide
PubChem CID67366085
Molecular FormulaC20H26N4O3S2
Molecular Weight434.59 g/mol
Exact Mass434.14
IUPAC Name4-[[3-[methylsulfonyl(3-phenylpropyl)amino]-2-oxopyrrolidin-1-yl]methyl]thiophene-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(CN2CCC(N(CCCc3ccccc3)S(C)(=O)=O)C2=O)cs1
InChIInChI=1S/C20H26N4O3S2/c1-29(26,27)24(10-5-8-15-6-3-2-4-7-15)17-9-11-23(20(17)25)13-16-12-18(19(21)22)28-14-16/h2-4,6-7,12,14,17H,5,8-11,13H2,1H3,(H3,21,22)
InChIKeyPRQNUELZKQBHRX-UHFFFAOYSA-N
XLogP2.03
TPSA107.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.59
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 4-[[3-[methylsulfonyl(3-phenylpropyl)amino]-2-oxopyrrolidin-1-yl]methyl]thiophene-2-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3S)-2-oxo-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-N-(3-phenylpropyl)methanesulfonamide
CID 140986683
4-[[(3S)-3-[(7-methoxynaphthalen-2-yl)sulfonyl-methylamino]-2-oxopyrrolidin-1-yl]methyl]thiophene-2-carboximidamide
CID 10322586
3-[(6-aminonaphthalen-2-yl)-sulfinoamino]-1-[(5-carbamimidoylthiophen-3-yl)methyl]-2-oxopyrrolidine
CID 57284068
tert-butyl 2-[[(3S)-1-[(5-carbamimidoylthiophen-3-yl)methyl]-2-oxopyrrolidin-3-yl]-(7-methoxynaphthalen-2-yl)sulfonylamino]acetate
CID 139802159
3-[[(3S)-3-[1-benzothiophen-2-ylsulfonyl(methyl)amino]-2-oxopyrrolidin-1-yl]methyl]benzenecarboximidamide
CID 22883581
3-[[(3S)-3-[benzyl-(7-methoxynaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]methyl]benzenecarboximidamide
CID 10721219
3-[[3-[(4-chloro-1-benzothiophen-2-yl)sulfonyl-methylamino]-2-oxopyrrolidin-1-yl]methyl]benzenecarboximidamide;2,2,2-trifluoroacetic acid
CID 18936129
3-[[3-[(6-chloro-1-benzothiophen-2-yl)sulfonyl-methylamino]-2-oxopyrrolidin-1-yl]methyl]benzenecarboximidamide;2,2,2-trifluoroacetic acid
CID 18936125
5-[[(3S)-3-[(7-methoxynaphthalen-2-yl)sulfonyl-methylamino]-2-oxopyrrolidin-1-yl]methyl]thiophene-2-carboximidamide
CID 10624280
2-[[(3S)-1-[(2-carbamimidoyl-4-pyridinyl)methyl]-2-oxopyrrolidin-3-yl]-(7-methoxynaphthalen-2-yl)sulfonylamino]acetamide
CID 18392260
3-[[(3S)-3-[(5-chlorothieno[3,2-b]pyridin-2-yl)sulfonyl-methylamino]-2-oxopyrrolidin-1-yl]methyl]benzenecarboximidamide;2,2,2-trifluoroacetic acid
CID 22883566
3-[[(3S)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonylamino)-2-oxopyrrolidin-1-yl]methyl]benzenecarboximidamide
CID 15871024

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[methylsulfonyl(3-phenylpropyl)amino]-2-oxopyrrolidin-1-yl]methyl]thiophene-2-carboximidamide?
The IUPAC name of 4-[[3-[methylsulfonyl(3-phenylpropyl)amino]-2-oxopyrrolidin-1-yl]methyl]thiophene-2-carboximidamide (CID 67366085) is 4-[[3-[methylsulfonyl(3-phenylpropyl)amino]-2-oxopyrrolidin-1-yl]methyl]thiophene-2-carboximidamide.
What is the SMILES notation for 4-[[3-[methylsulfonyl(3-phenylpropyl)amino]-2-oxopyrrolidin-1-yl]methyl]thiophene-2-carboximidamide?
The canonical SMILES for 4-[[3-[methylsulfonyl(3-phenylpropyl)amino]-2-oxopyrrolidin-1-yl]methyl]thiophene-2-carboximidamide is [H]/N=C(\N)c1cc(CN2CCC(N(CCCc3ccccc3)S(C)(=O)=O)C2=O)cs1.
What is the InChIKey of 4-[[3-[methylsulfonyl(3-phenylpropyl)amino]-2-oxopyrrolidin-1-yl]methyl]thiophene-2-carboximidamide?
The InChIKey is PRQNUELZKQBHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3S2/c1-29(26,27)24(10-5-8-15-6-3-2-4-7-15)17-9-11-23(20(17)25)13-16-12-18(19(21)22)28-14-16/h2-4,6-7,12,14,17H,5,8-11,13H2,1H3,(H3,21,22).
What are the key properties of 4-[[3-[methylsulfonyl(3-phenylpropyl)amino]-2-oxopyrrolidin-1-yl]methyl]thiophene-2-carboximidamide?
4-[[3-[methylsulfonyl(3-phenylpropyl)amino]-2-oxopyrrolidin-1-yl]methyl]thiophene-2-carboximidamide has a molecular weight of 434.59 g/mol, XLogP of 2.03, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[methylsulfonyl(3-phenylpropyl)amino]-2-oxopyrrolidin-1-yl]methyl]thiophene-2-carboximidamide is sourced from PubChem (CID 67366085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).