(5-chlorothiophen-2-yl) N-[1-[3-chloro-4-(3-oxomorpholin-4-yl)anilino]-2-methyl-1-oxopropan-2-yl]carbamate

C19H19Cl2N3O5S — CID 91569108

IUPAC(5-chlorothiophen-2-yl) N-[1-[3-chloro-4-(3-oxomorpholin-4-yl)anilino]-2-methyl-1-oxopropan-2-yl]carbamate
SMILESCC(C)(NC(=O)Oc1ccc(Cl)s1)C(=O)Nc1ccc(N2CCOCC2=O)c(Cl)c1
InChIInChI=1S/C19H19Cl2N3O5S/c1-19(2,23-18(27)29-16-6-5-14(21)30-16)17(26)22-11-3-4-13(12(20)9-11)24-7-8-28-10-15(24)25/h3-6,9H,7-8,10H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyKMBHOJXCBCGIRY-UHFFFAOYSA-N
MW472.35 g/mol
LogP3.92
Rot. Bonds5

About (5-chlorothiophen-2-yl) N-[1-[3-chloro-4-(3-oxomorpholin-4-yl)anilino]-2-methyl-1-oxopropan-2-yl]carbamate

(5-chlorothiophen-2-yl) N-[1-[3-chloro-4-(3-oxomorpholin-4-yl)anilino]-2-methyl-1-oxopropan-2-yl]carbamate (PubChem CID 91569108) has the molecular formula C19H19Cl2N3O5S and a molecular weight of 472.35 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl) N-[1-[3-chloro-4-(3-oxomorpholin-4-yl)anilino]-2-methyl-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl) N-[1-[3-chloro-4-(3-oxomorpholin-4-yl)anilino]-2-methyl-1-oxopropan-2-yl]carbamate
PubChem CID91569108
Molecular FormulaC19H19Cl2N3O5S
Molecular Weight472.35 g/mol
Exact Mass471.04
IUPAC Name(5-chlorothiophen-2-yl) N-[1-[3-chloro-4-(3-oxomorpholin-4-yl)anilino]-2-methyl-1-oxopropan-2-yl]carbamate
SMILESCC(C)(NC(=O)Oc1ccc(Cl)s1)C(=O)Nc1ccc(N2CCOCC2=O)c(Cl)c1
InChIInChI=1S/C19H19Cl2N3O5S/c1-19(2,23-18(27)29-16-6-5-14(21)30-16)17(26)22-11-3-4-13(12(20)9-11)24-7-8-28-10-15(24)25/h3-6,9H,7-8,10H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyKMBHOJXCBCGIRY-UHFFFAOYSA-N
XLogP3.92
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.35
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(5-chlorothiophen-2-yl) N-[2-methyl-1-[3-methyl-4-(4-methyl-2-oxopiperazin-1-yl)anilino]-1-oxopropan-2-yl]carbamate
CID 69478069
(5-chlorothiophen-2-yl) N-[1-[[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]carbamoyl]cyclobutyl]carbamate
CID 91247668
(5-chlorothiophen-2-yl) N-[2-[3-methyl-4-(3-oxomorpholin-4-yl)anilino]-2-oxo-1-phenylethyl]carbamate
CID 91492676
(5-chlorothiophen-2-yl) N-[1-methyl-3-[[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]carbamoyl]pyrrolidin-3-yl]carbamate
CID 91255385
(5-chlorothiophen-2-yl) N-[2-methyl-1-[4-(4-methyl-1,4-diazepan-1-yl)-3-(trifluoromethyl)anilino]-1-oxopropan-2-yl]carbamate
CID 69491165
2-(6-chloro-1H-benzimidazol-2-yl)-N-[3-chloro-4-(3-oxomorpholin-4-yl)phenyl]-2-methylpropanamide
CID 11561410
(5-bromothiophen-2-yl) N-[1-[3-bromo-4-(4-methyl-2-oxopiperazin-1-yl)anilino]-2-methyl-1-oxopropan-2-yl]carbamate
CID 90760184
(5-chlorothiophen-2-yl) N-[2-methyl-1-[3-methyl-4-(2-methylpyrrolidine-1-carbonyl)anilino]-1-oxopropan-2-yl]carbamate
CID 91447784
5-bromo-N-[2-methyl-1-oxo-1-[4-(3-oxomorpholin-4-yl)-3-(trifluoromethyl)anilino]propan-2-yl]thiophene-2-carboxamide
CID 69058430
(5-chlorothiophen-2-yl) N-[(2R)-3-[2-chloro-4-(3-oxomorpholin-4-yl)anilino]-2-hydroxypropyl]carbamate
CID 68745684
(5-bromothiophen-2-yl) N-[3-[[3-chloro-4-(5-oxo-1,4-oxazepan-4-yl)phenyl]carbamoyl]oxetan-3-yl]carbamate
CID 69467427
1-amino-N-[3-chloro-4-(3-oxomorpholin-4-yl)phenyl]cyclohexane-1-carboxamide
CID 69053661

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl) N-[1-[3-chloro-4-(3-oxomorpholin-4-yl)anilino]-2-methyl-1-oxopropan-2-yl]carbamate?
The IUPAC name of (5-chlorothiophen-2-yl) N-[1-[3-chloro-4-(3-oxomorpholin-4-yl)anilino]-2-methyl-1-oxopropan-2-yl]carbamate (CID 91569108) is (5-chlorothiophen-2-yl) N-[1-[3-chloro-4-(3-oxomorpholin-4-yl)anilino]-2-methyl-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for (5-chlorothiophen-2-yl) N-[1-[3-chloro-4-(3-oxomorpholin-4-yl)anilino]-2-methyl-1-oxopropan-2-yl]carbamate?
The canonical SMILES for (5-chlorothiophen-2-yl) N-[1-[3-chloro-4-(3-oxomorpholin-4-yl)anilino]-2-methyl-1-oxopropan-2-yl]carbamate is CC(C)(NC(=O)Oc1ccc(Cl)s1)C(=O)Nc1ccc(N2CCOCC2=O)c(Cl)c1.
What is the InChIKey of (5-chlorothiophen-2-yl) N-[1-[3-chloro-4-(3-oxomorpholin-4-yl)anilino]-2-methyl-1-oxopropan-2-yl]carbamate?
The InChIKey is KMBHOJXCBCGIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N3O5S/c1-19(2,23-18(27)29-16-6-5-14(21)30-16)17(26)22-11-3-4-13(12(20)9-11)24-7-8-28-10-15(24)25/h3-6,9H,7-8,10H2,1-2H3,(H,22,26)(H,23,27).
What are the key properties of (5-chlorothiophen-2-yl) N-[1-[3-chloro-4-(3-oxomorpholin-4-yl)anilino]-2-methyl-1-oxopropan-2-yl]carbamate?
(5-chlorothiophen-2-yl) N-[1-[3-chloro-4-(3-oxomorpholin-4-yl)anilino]-2-methyl-1-oxopropan-2-yl]carbamate has a molecular weight of 472.35 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl) N-[1-[3-chloro-4-(3-oxomorpholin-4-yl)anilino]-2-methyl-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 91569108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).