N-[3-dimethoxyphosphoryl-1-[3-methyl-4-(3-oxomorpholin-4-yl)anilino]-1-oxopropan-2-yl]-5-ethynylthiophene-2-carboxamide

C23H26N3O7PS — CID 11511934

IUPACN-[3-dimethoxyphosphoryl-1-[3-methyl-4-(3-oxomorpholin-4-yl)anilino]-1-oxopropan-2-yl]-5-ethynylthiophene-2-carboxamide
SMILESC#Cc1ccc(C(=O)NC(CP(=O)(OC)OC)C(=O)Nc2ccc(N3CCOCC3=O)c(C)c2)s1
InChIInChI=1S/C23H26N3O7PS/c1-5-17-7-9-20(35-17)23(29)25-18(14-34(30,31-3)32-4)22(28)24-16-6-8-19(15(2)12-16)26-10-11-33-13-21(26)27/h1,6-9,12,18H,10-11,13-14H2,2-4H3,(H,24,28)(H,25,29)
InChIKeyFKQNPAGPKBMGEG-UHFFFAOYSA-N
MW519.52 g/mol
LogP2.62
Rot. Bonds9

About N-[3-dimethoxyphosphoryl-1-[3-methyl-4-(3-oxomorpholin-4-yl)anilino]-1-oxopropan-2-yl]-5-ethynylthiophene-2-carboxamide

N-[3-dimethoxyphosphoryl-1-[3-methyl-4-(3-oxomorpholin-4-yl)anilino]-1-oxopropan-2-yl]-5-ethynylthiophene-2-carboxamide (PubChem CID 11511934) has the molecular formula C23H26N3O7PS and a molecular weight of 519.52 g/mol. Its IUPAC name is N-[3-dimethoxyphosphoryl-1-[3-methyl-4-(3-oxomorpholin-4-yl)anilino]-1-oxopropan-2-yl]-5-ethynylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-dimethoxyphosphoryl-1-[3-methyl-4-(3-oxomorpholin-4-yl)anilino]-1-oxopropan-2-yl]-5-ethynylthiophene-2-carboxamide
PubChem CID11511934
Molecular FormulaC23H26N3O7PS
Molecular Weight519.52 g/mol
Exact Mass519.12
IUPAC NameN-[3-dimethoxyphosphoryl-1-[3-methyl-4-(3-oxomorpholin-4-yl)anilino]-1-oxopropan-2-yl]-5-ethynylthiophene-2-carboxamide
SMILESC#Cc1ccc(C(=O)NC(CP(=O)(OC)OC)C(=O)Nc2ccc(N3CCOCC3=O)c(C)c2)s1
InChIInChI=1S/C23H26N3O7PS/c1-5-17-7-9-20(35-17)23(29)25-18(14-34(30,31-3)32-4)22(28)24-16-6-8-19(15(2)12-16)26-10-11-33-13-21(26)27/h1,6-9,12,18H,10-11,13-14H2,2-4H3,(H,24,28)(H,25,29)
InChIKeyFKQNPAGPKBMGEG-UHFFFAOYSA-N
XLogP2.62
TPSA123.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.52
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[3-dimethoxyphosphoryl-1-[3-methyl-4-(3-oxomorpholin-4-yl)anilino]-1-oxopropan-2-yl]-5-ethynylthiophene-2-carboxamide 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

(5-ethynylthiophen-2-yl) N-[3-methoxy-1-[3-methyl-4-(3-oxomorpholin-4-yl)anilino]-1-oxopropan-2-yl]carbamate
CID 91484760
5-ethynyl-N-[3-[[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]carbamoyl]-1,1-dioxothietan-3-yl]thiophene-2-carboxamide
CID 11663123
(2R)-2-[(4-ethynylphenyl)carbamoylamino]-3-methoxy-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]propanamide
CID 10253222
tert-butyl N-[2-[(5-chlorothiophene-2-carbonyl)amino]-3-[3-methyl-4-(3-oxomorpholin-4-yl)anilino]-3-oxopropyl]carbamate
CID 68884023
tert-butyl N-[(3R)-3-[(5-chlorothiophene-2-carbonyl)amino]-4-[3-methyl-4-(3-oxomorpholin-4-yl)anilino]-4-oxobutyl]carbamate
CID 68883502
tert-butyl N-[4-[(5-chlorothiophene-2-carbonyl)amino]-5-[3-methyl-4-(3-oxomorpholin-4-yl)anilino]-5-oxopentyl]carbamate
CID 68886814
3-dimethoxyphosphoryl-2-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]propanamide
CID 87236349
4-[(5-chlorothiophene-2-carbonyl)amino]-2-methyl-N'-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]hexanediamide
CID 68883498
N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]pent-4-ynamide
CID 87236086
1-acetyl-4-[(5-chlorothiophene-2-carbonyl)amino]-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]piperidine-4-carboxamide
CID 69055139
N-[(2S)-1-[3-chloro-4-(3-oxomorpholin-4-yl)anilino]-4-hydroxy-2-iodo-1-oxobutan-2-yl]-5-ethynylthiophene-2-carboxamide
CID 89260569
5-ethynyl-N-[(3R)-3-[[4-(3-oxomorpholin-4-yl)phenyl]carbamoyl]thiolan-3-yl]thiophene-2-carboxamide
CID 87573834

Frequently Asked Questions

What is the IUPAC name of N-[3-dimethoxyphosphoryl-1-[3-methyl-4-(3-oxomorpholin-4-yl)anilino]-1-oxopropan-2-yl]-5-ethynylthiophene-2-carboxamide?
The IUPAC name of N-[3-dimethoxyphosphoryl-1-[3-methyl-4-(3-oxomorpholin-4-yl)anilino]-1-oxopropan-2-yl]-5-ethynylthiophene-2-carboxamide (CID 11511934) is N-[3-dimethoxyphosphoryl-1-[3-methyl-4-(3-oxomorpholin-4-yl)anilino]-1-oxopropan-2-yl]-5-ethynylthiophene-2-carboxamide.
What is the SMILES notation for N-[3-dimethoxyphosphoryl-1-[3-methyl-4-(3-oxomorpholin-4-yl)anilino]-1-oxopropan-2-yl]-5-ethynylthiophene-2-carboxamide?
The canonical SMILES for N-[3-dimethoxyphosphoryl-1-[3-methyl-4-(3-oxomorpholin-4-yl)anilino]-1-oxopropan-2-yl]-5-ethynylthiophene-2-carboxamide is C#Cc1ccc(C(=O)NC(CP(=O)(OC)OC)C(=O)Nc2ccc(N3CCOCC3=O)c(C)c2)s1.
What is the InChIKey of N-[3-dimethoxyphosphoryl-1-[3-methyl-4-(3-oxomorpholin-4-yl)anilino]-1-oxopropan-2-yl]-5-ethynylthiophene-2-carboxamide?
The InChIKey is FKQNPAGPKBMGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N3O7PS/c1-5-17-7-9-20(35-17)23(29)25-18(14-34(30,31-3)32-4)22(28)24-16-6-8-19(15(2)12-16)26-10-11-33-13-21(26)27/h1,6-9,12,18H,10-11,13-14H2,2-4H3,(H,24,28)(H,25,29).
What are the key properties of N-[3-dimethoxyphosphoryl-1-[3-methyl-4-(3-oxomorpholin-4-yl)anilino]-1-oxopropan-2-yl]-5-ethynylthiophene-2-carboxamide?
N-[3-dimethoxyphosphoryl-1-[3-methyl-4-(3-oxomorpholin-4-yl)anilino]-1-oxopropan-2-yl]-5-ethynylthiophene-2-carboxamide has a molecular weight of 519.52 g/mol, XLogP of 2.62, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-dimethoxyphosphoryl-1-[3-methyl-4-(3-oxomorpholin-4-yl)anilino]-1-oxopropan-2-yl]-5-ethynylthiophene-2-carboxamide is sourced from PubChem (CID 11511934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).