5-chloro-N-[(2R)-2-hydroxy-3-[4-(2-hydroxyethylamino)anilino]propyl]thiophene-2-carboxamide

C16H20ClN3O3S — CID 90168959

IUPAC5-chloro-N-[(2R)-2-hydroxy-3-[4-(2-hydroxyethylamino)anilino]propyl]thiophene-2-carboxamide
SMILESO=C(NC[C@H](O)CNc1ccc(NCCO)cc1)c1ccc(Cl)s1
InChIInChI=1S/C16H20ClN3O3S/c17-15-6-5-14(24-15)16(23)20-10-13(22)9-19-12-3-1-11(2-4-12)18-7-8-21/h1-6,13,18-19,21-22H,7-10H2,(H,20,23)/t13-/m1/s1
InChIKeyKBKWKTRXVRYBLB-CYBMUJFWSA-N
MW369.87 g/mol
LogP2.01
Rot. Bonds9

About 5-chloro-N-[(2R)-2-hydroxy-3-[4-(2-hydroxyethylamino)anilino]propyl]thiophene-2-carboxamide

5-chloro-N-[(2R)-2-hydroxy-3-[4-(2-hydroxyethylamino)anilino]propyl]thiophene-2-carboxamide (PubChem CID 90168959) has the molecular formula C16H20ClN3O3S and a molecular weight of 369.87 g/mol. Its IUPAC name is 5-chloro-N-[(2R)-2-hydroxy-3-[4-(2-hydroxyethylamino)anilino]propyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(2R)-2-hydroxy-3-[4-(2-hydroxyethylamino)anilino]propyl]thiophene-2-carboxamide
PubChem CID90168959
Molecular FormulaC16H20ClN3O3S
Molecular Weight369.87 g/mol
Exact Mass369.09
IUPAC Name5-chloro-N-[(2R)-2-hydroxy-3-[4-(2-hydroxyethylamino)anilino]propyl]thiophene-2-carboxamide
SMILESO=C(NC[C@H](O)CNc1ccc(NCCO)cc1)c1ccc(Cl)s1
InChIInChI=1S/C16H20ClN3O3S/c17-15-6-5-14(24-15)16(23)20-10-13(22)9-19-12-3-1-11(2-4-12)18-7-8-21/h1-6,13,18-19,21-22H,7-10H2,(H,20,23)/t13-/m1/s1
InChIKeyKBKWKTRXVRYBLB-CYBMUJFWSA-N
XLogP2.01
TPSA93.62 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.87
LogP ≤ 52.01
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze 5-chloro-N-[(2R)-2-hydroxy-3-[4-(2-hydroxyethylamino)anilino]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

N-[(2S)-3-[4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]anilino]-2-hydroxypropyl]-5-chlorothiophene-2-carboxamide
CID 68659043
N-[3-[4-[3-[tert-butyl(dimethyl)silyl]oxypropylamino]anilino]-2-hydroxypropyl]-5-chlorothiophene-2-carboxamide
CID 72539287
5-chloro-N-(3-chloro-2-hydroxypropyl)thiophene-2-carboxamide
CID 78109019
5-chloro-N-[(2R)-2-hydroxy-3-[4-(2-oxoimidazolidin-1-yl)anilino]propyl]thiophene-2-carboxamide
CID 58834683
5-chloro-N-(2-hydroxypentyl)thiophene-2-carboxamide
CID 115700935
N-[3-(benzylamino)-2-hydroxypropyl]-5-chlorothiophene-2-carboxamide
CID 21070790
5-chloro-N-[[3-[4-(2-hydroxyethylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 72539282
5-chloro-N-[3-[3-fluoro-4-(3-oxomorpholin-4-yl)anilino]-2-hydroxypropyl]thiophene-2-carboxamide
CID 21070710
N-[3-[3-amino-4-(3-oxomorpholin-4-yl)anilino]-2-hydroxypropyl]-5-chlorothiophene-2-carboxamide
CID 21070772
5-chloro-N-(4-hydroxy-2,2-dimethylbutyl)thiophene-2-carboxamide
CID 103772360
5-chloro-N-[3-hydroxy-4-[4-(3-oxomorpholin-4-yl)anilino]butyl]thiophene-2-carboxamide
CID 123589878
5-chloro-N-[2-[(5-chlorothiophene-2-carbonyl)amino]propyl]thiophene-2-carboxamide
CID 3490004

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2R)-2-hydroxy-3-[4-(2-hydroxyethylamino)anilino]propyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[(2R)-2-hydroxy-3-[4-(2-hydroxyethylamino)anilino]propyl]thiophene-2-carboxamide (CID 90168959) is 5-chloro-N-[(2R)-2-hydroxy-3-[4-(2-hydroxyethylamino)anilino]propyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(2R)-2-hydroxy-3-[4-(2-hydroxyethylamino)anilino]propyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(2R)-2-hydroxy-3-[4-(2-hydroxyethylamino)anilino]propyl]thiophene-2-carboxamide is O=C(NC[C@H](O)CNc1ccc(NCCO)cc1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[(2R)-2-hydroxy-3-[4-(2-hydroxyethylamino)anilino]propyl]thiophene-2-carboxamide?
The InChIKey is KBKWKTRXVRYBLB-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H20ClN3O3S/c17-15-6-5-14(24-15)16(23)20-10-13(22)9-19-12-3-1-11(2-4-12)18-7-8-21/h1-6,13,18-19,21-22H,7-10H2,(H,20,23)/t13-/m1/s1.
What are the key properties of 5-chloro-N-[(2R)-2-hydroxy-3-[4-(2-hydroxyethylamino)anilino]propyl]thiophene-2-carboxamide?
5-chloro-N-[(2R)-2-hydroxy-3-[4-(2-hydroxyethylamino)anilino]propyl]thiophene-2-carboxamide has a molecular weight of 369.87 g/mol, XLogP of 2.01, 9 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2R)-2-hydroxy-3-[4-(2-hydroxyethylamino)anilino]propyl]thiophene-2-carboxamide is sourced from PubChem (CID 90168959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).