(5-chlorothiophen-2-yl) N-[(2R)-3-[2-chloro-4-(3-oxomorpholin-4-yl)anilino]-2-hydroxypropyl]carbamate

C18H19Cl2N3O5S — CID 68745684

IUPAC(5-chlorothiophen-2-yl) N-[(2R)-3-[2-chloro-4-(3-oxomorpholin-4-yl)anilino]-2-hydroxypropyl]carbamate
SMILESO=C(NC[C@H](O)CNc1ccc(N2CCOCC2=O)cc1Cl)Oc1ccc(Cl)s1
InChIInChI=1S/C18H19Cl2N3O5S/c19-13-7-11(23-5-6-27-10-16(23)25)1-2-14(13)21-8-12(24)9-22-18(26)28-17-4-3-15(20)29-17/h1-4,7,12,21,24H,5-6,8-10H2,(H,22,26)/t12-/m1/s1
InChIKeyVCOJGSOZRMAVNC-GFCCVEGCSA-N
MW460.34 g/mol
LogP2.98
Rot. Bonds7

About (5-chlorothiophen-2-yl) N-[(2R)-3-[2-chloro-4-(3-oxomorpholin-4-yl)anilino]-2-hydroxypropyl]carbamate

(5-chlorothiophen-2-yl) N-[(2R)-3-[2-chloro-4-(3-oxomorpholin-4-yl)anilino]-2-hydroxypropyl]carbamate (PubChem CID 68745684) has the molecular formula C18H19Cl2N3O5S and a molecular weight of 460.34 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl) N-[(2R)-3-[2-chloro-4-(3-oxomorpholin-4-yl)anilino]-2-hydroxypropyl]carbamate.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl) N-[(2R)-3-[2-chloro-4-(3-oxomorpholin-4-yl)anilino]-2-hydroxypropyl]carbamate
PubChem CID68745684
Molecular FormulaC18H19Cl2N3O5S
Molecular Weight460.34 g/mol
Exact Mass459.04
IUPAC Name(5-chlorothiophen-2-yl) N-[(2R)-3-[2-chloro-4-(3-oxomorpholin-4-yl)anilino]-2-hydroxypropyl]carbamate
SMILESO=C(NC[C@H](O)CNc1ccc(N2CCOCC2=O)cc1Cl)Oc1ccc(Cl)s1
InChIInChI=1S/C18H19Cl2N3O5S/c19-13-7-11(23-5-6-27-10-16(23)25)1-2-14(13)21-8-12(24)9-22-18(26)28-17-4-3-15(20)29-17/h1-4,7,12,21,24H,5-6,8-10H2,(H,22,26)/t12-/m1/s1
InChIKeyVCOJGSOZRMAVNC-GFCCVEGCSA-N
XLogP2.98
TPSA100.13 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.34
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (5-chlorothiophen-2-yl) N-[(2R)-3-[2-chloro-4-(3-oxomorpholin-4-yl)anilino]-2-hydroxypropyl]carbamate 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
(5-chlorothiophen-2-yl) N-[1-[3-chloro-4-(3-oxomorpholin-4-yl)anilino]-2-methyl-1-oxopropan-2-yl]carbamate
CID 91569108
N-[3-[3-amino-4-(3-oxomorpholin-4-yl)anilino]-2-hydroxypropyl]-5-chlorothiophene-2-carboxamide
CID 21070772
(5-chlorothiophen-2-yl) N-[[1-(4-morpholin-4-ylphenyl)-5-oxopyrrolidin-3-yl]methyl]carbamate
CID 91293221
5-chloro-N-[3-[3-fluoro-4-(3-oxomorpholin-4-yl)anilino]-2-hydroxypropyl]thiophene-2-carboxamide
CID 21070710
[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-[(2S)-3-chloro-2-[hydroxy-[4-(3-oxomorpholin-4-yl)anilino]methoxy]propyl]thiophene-2-carboxamide
CID 118067168
5-chloro-3-[2-hydroxy-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]thiophene-2-carboxamide
CID 90258799
5-chloro-N-[2-hydroxy-3-[N-nitroso-4-(3-oxomorpholin-4-yl)anilino]propyl]thiophene-2-carboxamide
CID 171395174
5-chloro-N-[(2S)-3-[2-(difluoromethyl)-4-(3-oxomorpholin-4-yl)anilino]-2-(dimethylamino)-3-oxopropyl]thiophene-2-carboxamide
CID 90876517
5-chloro-N-[(2S)-2-(dimethylamino)-3-oxo-3-[4-(3-oxomorpholin-4-yl)-2-(trifluoromethyl)anilino]propyl]thiophene-2-carboxamide
CID 91141516
N-[(2S)-2-[bis(2,2-dimethylpropyl)amino]-3-[2-fluoro-4-(3-oxomorpholin-4-yl)anilino]-3-oxopropyl]-5-chlorothiophene-2-carboxamide
CID 90934842

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl) N-[(2R)-3-[2-chloro-4-(3-oxomorpholin-4-yl)anilino]-2-hydroxypropyl]carbamate?
The IUPAC name of (5-chlorothiophen-2-yl) N-[(2R)-3-[2-chloro-4-(3-oxomorpholin-4-yl)anilino]-2-hydroxypropyl]carbamate (CID 68745684) is (5-chlorothiophen-2-yl) N-[(2R)-3-[2-chloro-4-(3-oxomorpholin-4-yl)anilino]-2-hydroxypropyl]carbamate.
What is the SMILES notation for (5-chlorothiophen-2-yl) N-[(2R)-3-[2-chloro-4-(3-oxomorpholin-4-yl)anilino]-2-hydroxypropyl]carbamate?
The canonical SMILES for (5-chlorothiophen-2-yl) N-[(2R)-3-[2-chloro-4-(3-oxomorpholin-4-yl)anilino]-2-hydroxypropyl]carbamate is O=C(NC[C@H](O)CNc1ccc(N2CCOCC2=O)cc1Cl)Oc1ccc(Cl)s1.
What is the InChIKey of (5-chlorothiophen-2-yl) N-[(2R)-3-[2-chloro-4-(3-oxomorpholin-4-yl)anilino]-2-hydroxypropyl]carbamate?
The InChIKey is VCOJGSOZRMAVNC-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H19Cl2N3O5S/c19-13-7-11(23-5-6-27-10-16(23)25)1-2-14(13)21-8-12(24)9-22-18(26)28-17-4-3-15(20)29-17/h1-4,7,12,21,24H,5-6,8-10H2,(H,22,26)/t12-/m1/s1.
What are the key properties of (5-chlorothiophen-2-yl) N-[(2R)-3-[2-chloro-4-(3-oxomorpholin-4-yl)anilino]-2-hydroxypropyl]carbamate?
(5-chlorothiophen-2-yl) N-[(2R)-3-[2-chloro-4-(3-oxomorpholin-4-yl)anilino]-2-hydroxypropyl]carbamate has a molecular weight of 460.34 g/mol, XLogP of 2.98, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl) N-[(2R)-3-[2-chloro-4-(3-oxomorpholin-4-yl)anilino]-2-hydroxypropyl]carbamate is sourced from PubChem (CID 68745684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).