5-chloro-N-[(2S)-3-chloro-2-[hydroxy-[4-(3-oxomorpholin-4-yl)anilino]methoxy]propyl]thiophene-2-carboxamide

C19H21Cl2N3O5S — CID 118067168

IUPAC5-chloro-N-[(2S)-3-chloro-2-[hydroxy-[4-(3-oxomorpholin-4-yl)anilino]methoxy]propyl]thiophene-2-carboxamide
SMILESO=C(NC[C@@H](CCl)OC(O)Nc1ccc(N2CCOCC2=O)cc1)c1ccc(Cl)s1
InChIInChI=1S/C19H21Cl2N3O5S/c20-9-14(10-22-18(26)15-5-6-16(21)30-15)29-19(27)23-12-1-3-13(4-2-12)24-7-8-28-11-17(24)25/h1-6,14,19,23,27H,7-11H2,(H,22,26)/t14-,19?/m1/s1
InChIKeyYDFUROLYVHHODS-MJTSIZKDSA-N
MW474.37 g/mol
LogP2.51
Rot. Bonds9

About 5-chloro-N-[(2S)-3-chloro-2-[hydroxy-[4-(3-oxomorpholin-4-yl)anilino]methoxy]propyl]thiophene-2-carboxamide

5-chloro-N-[(2S)-3-chloro-2-[hydroxy-[4-(3-oxomorpholin-4-yl)anilino]methoxy]propyl]thiophene-2-carboxamide (PubChem CID 118067168) has the molecular formula C19H21Cl2N3O5S and a molecular weight of 474.37 g/mol. Its IUPAC name is 5-chloro-N-[(2S)-3-chloro-2-[hydroxy-[4-(3-oxomorpholin-4-yl)anilino]methoxy]propyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(2S)-3-chloro-2-[hydroxy-[4-(3-oxomorpholin-4-yl)anilino]methoxy]propyl]thiophene-2-carboxamide
PubChem CID118067168
Molecular FormulaC19H21Cl2N3O5S
Molecular Weight474.37 g/mol
Exact Mass473.06
IUPAC Name5-chloro-N-[(2S)-3-chloro-2-[hydroxy-[4-(3-oxomorpholin-4-yl)anilino]methoxy]propyl]thiophene-2-carboxamide
SMILESO=C(NC[C@@H](CCl)OC(O)Nc1ccc(N2CCOCC2=O)cc1)c1ccc(Cl)s1
InChIInChI=1S/C19H21Cl2N3O5S/c20-9-14(10-22-18(26)15-5-6-16(21)30-15)29-19(27)23-12-1-3-13(4-2-12)24-7-8-28-11-17(24)25/h1-6,14,19,23,27H,7-11H2,(H,22,26)/t14-,19?/m1/s1
InChIKeyYDFUROLYVHHODS-MJTSIZKDSA-N
XLogP2.51
TPSA100.13 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.37
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 5-chloro-N-[(2S)-3-chloro-2-[hydroxy-[4-(3-oxomorpholin-4-yl)anilino]methoxy]propyl]thiophene-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-chloro-N-[3-hydroxy-4-[4-(3-oxomorpholin-4-yl)anilino]butyl]thiophene-2-carboxamide
CID 123589878
N-[(2R)-2-acetamido-3-oxo-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]-5-chlorothiophene-2-carboxamide
CID 90883840
[(2S)-1-chloro-3-[(5-chlorothiophene-2-carbonyl)amino]propan-2-yl]-[4-(3-oxomorpholin-4-yl)phenyl]carbamic acid
CID 118060763
[2-[(2S)-1-chloro-3-[(5-chlorothiophene-2-carbonyl)amino]propan-2-yl]-4-(3-oxomorpholin-4-yl)phenyl] carbamate
CID 90015492
5-chloro-N-[(2R)-2-(cyclobutylmethylamino)-3-oxo-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]thiophene-2-carboxamide
CID 90719385
5-chloro-N-[2-hydroxy-3-[N-nitroso-4-(3-oxomorpholin-4-yl)anilino]propyl]thiophene-2-carboxamide
CID 171395174
5-chloro-N-[(2S)-2-[ethyl(2,2,2-trifluoroethyl)amino]-3-oxo-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]thiophene-2-carboxamide
CID 90920468
5-chloro-N-[(2R)-2-[2,2-difluoroethyl(methyl)amino]-3-oxo-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]thiophene-2-carboxamide
CID 90948345
5-chloro-N-[(2R)-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-3-oxo-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]thiophene-2-carboxamide
CID 91542218
N-[3-[3-amino-4-(3-oxomorpholin-4-yl)anilino]-2-hydroxypropyl]-5-chlorothiophene-2-carboxamide
CID 21070772
5-chloro-N-[(2R)-2-[2,2-dimethylpropyl(2,2,2-trifluoroethyl)amino]-3-oxo-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]thiophene-2-carboxamide
CID 90910044
5-chloro-N-[3-[3-fluoro-4-(3-oxomorpholin-4-yl)anilino]-2-hydroxypropyl]thiophene-2-carboxamide
CID 21070710

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2S)-3-chloro-2-[hydroxy-[4-(3-oxomorpholin-4-yl)anilino]methoxy]propyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[(2S)-3-chloro-2-[hydroxy-[4-(3-oxomorpholin-4-yl)anilino]methoxy]propyl]thiophene-2-carboxamide (CID 118067168) is 5-chloro-N-[(2S)-3-chloro-2-[hydroxy-[4-(3-oxomorpholin-4-yl)anilino]methoxy]propyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(2S)-3-chloro-2-[hydroxy-[4-(3-oxomorpholin-4-yl)anilino]methoxy]propyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(2S)-3-chloro-2-[hydroxy-[4-(3-oxomorpholin-4-yl)anilino]methoxy]propyl]thiophene-2-carboxamide is O=C(NC[C@@H](CCl)OC(O)Nc1ccc(N2CCOCC2=O)cc1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[(2S)-3-chloro-2-[hydroxy-[4-(3-oxomorpholin-4-yl)anilino]methoxy]propyl]thiophene-2-carboxamide?
The InChIKey is YDFUROLYVHHODS-MJTSIZKDSA-N. The full InChI is InChI=1S/C19H21Cl2N3O5S/c20-9-14(10-22-18(26)15-5-6-16(21)30-15)29-19(27)23-12-1-3-13(4-2-12)24-7-8-28-11-17(24)25/h1-6,14,19,23,27H,7-11H2,(H,22,26)/t14-,19?/m1/s1.
What are the key properties of 5-chloro-N-[(2S)-3-chloro-2-[hydroxy-[4-(3-oxomorpholin-4-yl)anilino]methoxy]propyl]thiophene-2-carboxamide?
5-chloro-N-[(2S)-3-chloro-2-[hydroxy-[4-(3-oxomorpholin-4-yl)anilino]methoxy]propyl]thiophene-2-carboxamide has a molecular weight of 474.37 g/mol, XLogP of 2.51, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2S)-3-chloro-2-[hydroxy-[4-(3-oxomorpholin-4-yl)anilino]methoxy]propyl]thiophene-2-carboxamide is sourced from PubChem (CID 118067168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).