(2R)-2-[(5-chlorothiophen-2-yl)carbamoylamino]-N-[4-(3-oxomorpholin-4-yl)phenyl]-2-phenylacetamide

C23H21ClN4O4S — CID 10096868

IUPAC(2R)-2-[(5-chlorothiophen-2-yl)carbamoylamino]-N-[4-(3-oxomorpholin-4-yl)phenyl]-2-phenylacetamide
SMILESO=C(Nc1ccc(Cl)s1)N[C@@H](C(=O)Nc1ccc(N2CCOCC2=O)cc1)c1ccccc1
InChIInChI=1S/C23H21ClN4O4S/c24-18-10-11-19(33-18)26-23(31)27-21(15-4-2-1-3-5-15)22(30)25-16-6-8-17(9-7-16)28-12-13-32-14-20(28)29/h1-11,21H,12-14H2,(H,25,30)(H2,26,27,31)/t21-/m1/s1
InChIKeyMDMFKESZZLHJHA-OAQYLSRUSA-N
MW484.97 g/mol
LogP4.27
Rot. Bonds6

About (2R)-2-[(5-chlorothiophen-2-yl)carbamoylamino]-N-[4-(3-oxomorpholin-4-yl)phenyl]-2-phenylacetamide

(2R)-2-[(5-chlorothiophen-2-yl)carbamoylamino]-N-[4-(3-oxomorpholin-4-yl)phenyl]-2-phenylacetamide (PubChem CID 10096868) has the molecular formula C23H21ClN4O4S and a molecular weight of 484.97 g/mol. Its IUPAC name is (2R)-2-[(5-chlorothiophen-2-yl)carbamoylamino]-N-[4-(3-oxomorpholin-4-yl)phenyl]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-[(5-chlorothiophen-2-yl)carbamoylamino]-N-[4-(3-oxomorpholin-4-yl)phenyl]-2-phenylacetamide
PubChem CID10096868
Molecular FormulaC23H21ClN4O4S
Molecular Weight484.97 g/mol
Exact Mass484.10
IUPAC Name(2R)-2-[(5-chlorothiophen-2-yl)carbamoylamino]-N-[4-(3-oxomorpholin-4-yl)phenyl]-2-phenylacetamide
SMILESO=C(Nc1ccc(Cl)s1)N[C@@H](C(=O)Nc1ccc(N2CCOCC2=O)cc1)c1ccccc1
InChIInChI=1S/C23H21ClN4O4S/c24-18-10-11-19(33-18)26-23(31)27-21(15-4-2-1-3-5-15)22(30)25-16-6-8-17(9-7-16)28-12-13-32-14-20(28)29/h1-11,21H,12-14H2,(H,25,30)(H2,26,27,31)/t21-/m1/s1
InChIKeyMDMFKESZZLHJHA-OAQYLSRUSA-N
XLogP4.27
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.97
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[4-(3-oxomorpholin-4-yl)phenyl]-2-phenylacetamide
CID 69444352
(5-chlorothiophen-2-yl) N-[2-[3-methyl-4-(3-oxomorpholin-4-yl)anilino]-2-oxo-1-phenylethyl]carbamate
CID 91492676
4-[(5-chlorothiophene-2-carbonyl)amino]-5-oxo-5-[4-(3-oxomorpholin-4-yl)anilino]pentanoic acid
CID 68885043
2-[(5-chlorothiophen-2-yl)carbamoylamino]-N-[4-[1-(methylaminomethyl)cyclopropyl]phenyl]-2-phenylacetamide
CID 11317340
2-[(5-chlorothiophen-2-yl)carbamoylamino]-N-[4-[1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclopropyl]phenyl]-2-phenylacetamide
CID 11238504
2-[(5-chlorothiophen-2-yl)carbamoylamino]-N-[4-[(E)-N'-methoxy-N,N-dimethylcarbamimidoyl]phenyl]-2-phenylacetamide
CID 87856277
2-[(5-chlorothiophen-2-yl)carbamoylamino]-N-[4-[[2-(dimethylamino)acetyl]-methylamino]phenyl]-2-phenylacetamide
CID 11318014
N-[(2R)-2-acetamido-3-oxo-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]-5-chlorothiophene-2-carboxamide
CID 90883840
(2R)-N-[4-(2-amino-4,5-dihydroimidazol-1-yl)phenyl]-2-[(4-chlorophenyl)carbamoylamino]-2-phenylacetamide
CID 11754112
(2R)-1-[2-[(5-chlorothiophen-2-yl)amino]-2-oxoethyl]-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-2-carboxamide
CID 11626795
1-(3-chlorophenyl)-3-[4-(3-oxomorpholin-4-yl)phenyl]urea
CID 110363575
5-chloro-N-[3-(4-hydroxyphenyl)-1-oxo-1-[4-(3-oxomorpholin-4-yl)anilino]propan-2-yl]thiophene-2-carboxamide
CID 174777567

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-chlorothiophen-2-yl)carbamoylamino]-N-[4-(3-oxomorpholin-4-yl)phenyl]-2-phenylacetamide?
The IUPAC name of (2R)-2-[(5-chlorothiophen-2-yl)carbamoylamino]-N-[4-(3-oxomorpholin-4-yl)phenyl]-2-phenylacetamide (CID 10096868) is (2R)-2-[(5-chlorothiophen-2-yl)carbamoylamino]-N-[4-(3-oxomorpholin-4-yl)phenyl]-2-phenylacetamide.
What is the SMILES notation for (2R)-2-[(5-chlorothiophen-2-yl)carbamoylamino]-N-[4-(3-oxomorpholin-4-yl)phenyl]-2-phenylacetamide?
The canonical SMILES for (2R)-2-[(5-chlorothiophen-2-yl)carbamoylamino]-N-[4-(3-oxomorpholin-4-yl)phenyl]-2-phenylacetamide is O=C(Nc1ccc(Cl)s1)N[C@@H](C(=O)Nc1ccc(N2CCOCC2=O)cc1)c1ccccc1.
What is the InChIKey of (2R)-2-[(5-chlorothiophen-2-yl)carbamoylamino]-N-[4-(3-oxomorpholin-4-yl)phenyl]-2-phenylacetamide?
The InChIKey is MDMFKESZZLHJHA-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H21ClN4O4S/c24-18-10-11-19(33-18)26-23(31)27-21(15-4-2-1-3-5-15)22(30)25-16-6-8-17(9-7-16)28-12-13-32-14-20(28)29/h1-11,21H,12-14H2,(H,25,30)(H2,26,27,31)/t21-/m1/s1.
What are the key properties of (2R)-2-[(5-chlorothiophen-2-yl)carbamoylamino]-N-[4-(3-oxomorpholin-4-yl)phenyl]-2-phenylacetamide?
(2R)-2-[(5-chlorothiophen-2-yl)carbamoylamino]-N-[4-(3-oxomorpholin-4-yl)phenyl]-2-phenylacetamide has a molecular weight of 484.97 g/mol, XLogP of 4.27, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5-chlorothiophen-2-yl)carbamoylamino]-N-[4-(3-oxomorpholin-4-yl)phenyl]-2-phenylacetamide is sourced from PubChem (CID 10096868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).