N-[3-[2-(N-methylanilino)ethylamino]-3-oxopropyl]-4-oxo-4-thiophen-2-ylbutanamide

C20H25N3O3S — CID 24655114

IUPACN-[3-[2-(N-methylanilino)ethylamino]-3-oxopropyl]-4-oxo-4-thiophen-2-ylbutanamide
SMILESCN(CCNC(=O)CCNC(=O)CCC(=O)c1cccs1)c1ccccc1
InChIInChI=1S/C20H25N3O3S/c1-23(16-6-3-2-4-7-16)14-13-22-20(26)11-12-21-19(25)10-9-17(24)18-8-5-15-27-18/h2-8,15H,9-14H2,1H3,(H,21,25)(H,22,26)
InChIKeyIRFLJCXMQYTWAP-UHFFFAOYSA-N
MW387.50 g/mol
LogP2.47
Rot. Bonds11

About N-[3-[2-(N-methylanilino)ethylamino]-3-oxopropyl]-4-oxo-4-thiophen-2-ylbutanamide

N-[3-[2-(N-methylanilino)ethylamino]-3-oxopropyl]-4-oxo-4-thiophen-2-ylbutanamide (PubChem CID 24655114) has the molecular formula C20H25N3O3S and a molecular weight of 387.50 g/mol. Its IUPAC name is N-[3-[2-(N-methylanilino)ethylamino]-3-oxopropyl]-4-oxo-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-[3-[2-(N-methylanilino)ethylamino]-3-oxopropyl]-4-oxo-4-thiophen-2-ylbutanamide
PubChem CID24655114
Molecular FormulaC20H25N3O3S
Molecular Weight387.50 g/mol
Exact Mass387.16
IUPAC NameN-[3-[2-(N-methylanilino)ethylamino]-3-oxopropyl]-4-oxo-4-thiophen-2-ylbutanamide
SMILESCN(CCNC(=O)CCNC(=O)CCC(=O)c1cccs1)c1ccccc1
InChIInChI=1S/C20H25N3O3S/c1-23(16-6-3-2-4-7-16)14-13-22-20(26)11-12-21-19(25)10-9-17(24)18-8-5-15-27-18/h2-8,15H,9-14H2,1H3,(H,21,25)(H,22,26)
InChIKeyIRFLJCXMQYTWAP-UHFFFAOYSA-N
XLogP2.47
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.50
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-4-oxo-N-phenyl-4-thiophen-2-ylbutanamide
CID 94102437
3-(tert-butylamino)-N-[2-(N-methylanilino)ethyl]propanamide
CID 61260104
N-[2-(dimethylamino)ethyl]-3-(N-methylanilino)propanamide
CID 109016239
methyl 4-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]butanoate
CID 108807722
N-(3-aminopropyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 108796400
3-(cyclopropylamino)-N-[2-(N-methylanilino)ethyl]propanamide
CID 61259203
N-(2,2-dimethoxyethyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 108796357
6-amino-N-[2-(N-methylanilino)ethyl]hexanamide
CID 61260836
N-[2-(diethylamino)-2-phenylethyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 18167087
N-[2-(N-methylanilino)ethyl]-4-(propan-2-ylamino)butanamide
CID 61259926
N-[(2-methylphenyl)methyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 9104484
N-[3-(dimethylamino)phenyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 108796402

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(N-methylanilino)ethylamino]-3-oxopropyl]-4-oxo-4-thiophen-2-ylbutanamide?
The IUPAC name of N-[3-[2-(N-methylanilino)ethylamino]-3-oxopropyl]-4-oxo-4-thiophen-2-ylbutanamide (CID 24655114) is N-[3-[2-(N-methylanilino)ethylamino]-3-oxopropyl]-4-oxo-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-[3-[2-(N-methylanilino)ethylamino]-3-oxopropyl]-4-oxo-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-[3-[2-(N-methylanilino)ethylamino]-3-oxopropyl]-4-oxo-4-thiophen-2-ylbutanamide is CN(CCNC(=O)CCNC(=O)CCC(=O)c1cccs1)c1ccccc1.
What is the InChIKey of N-[3-[2-(N-methylanilino)ethylamino]-3-oxopropyl]-4-oxo-4-thiophen-2-ylbutanamide?
The InChIKey is IRFLJCXMQYTWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-23(16-6-3-2-4-7-16)14-13-22-20(26)11-12-21-19(25)10-9-17(24)18-8-5-15-27-18/h2-8,15H,9-14H2,1H3,(H,21,25)(H,22,26).
What are the key properties of N-[3-[2-(N-methylanilino)ethylamino]-3-oxopropyl]-4-oxo-4-thiophen-2-ylbutanamide?
N-[3-[2-(N-methylanilino)ethylamino]-3-oxopropyl]-4-oxo-4-thiophen-2-ylbutanamide has a molecular weight of 387.50 g/mol, XLogP of 2.47, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(N-methylanilino)ethylamino]-3-oxopropyl]-4-oxo-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 24655114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).