N-[(2R)-2-acetamido-3-oxo-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]-5-chlorothiophene-2-carboxamide

C20H21ClN4O5S — CID 90883840

IUPACN-[(2R)-2-acetamido-3-oxo-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]-5-chlorothiophene-2-carboxamide
SMILESCC(=O)N[C@H](CNC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc(N2CCOCC2=O)cc1
InChIInChI=1S/C20H21ClN4O5S/c1-12(26)23-15(10-22-20(29)16-6-7-17(21)31-16)19(28)24-13-2-4-14(5-3-13)25-8-9-30-11-18(25)27/h2-7,15H,8-11H2,1H3,(H,22,29)(H,23,26)(H,24,28)/t15-/m1/s1
InChIKeyFEWBEEWNNKLNQO-OAHLLOKOSA-N
MW464.93 g/mol
LogP1.64
Rot. Bonds7

About N-[(2R)-2-acetamido-3-oxo-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]-5-chlorothiophene-2-carboxamide

N-[(2R)-2-acetamido-3-oxo-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]-5-chlorothiophene-2-carboxamide (PubChem CID 90883840) has the molecular formula C20H21ClN4O5S and a molecular weight of 464.93 g/mol. Its IUPAC name is N-[(2R)-2-acetamido-3-oxo-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]-5-chlorothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-acetamido-3-oxo-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]-5-chlorothiophene-2-carboxamide
PubChem CID90883840
Molecular FormulaC20H21ClN4O5S
Molecular Weight464.93 g/mol
Exact Mass464.09
IUPAC NameN-[(2R)-2-acetamido-3-oxo-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]-5-chlorothiophene-2-carboxamide
SMILESCC(=O)N[C@H](CNC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc(N2CCOCC2=O)cc1
InChIInChI=1S/C20H21ClN4O5S/c1-12(26)23-15(10-22-20(29)16-6-7-17(21)31-16)19(28)24-13-2-4-14(5-3-13)25-8-9-30-11-18(25)27/h2-7,15H,8-11H2,1H3,(H,22,29)(H,23,26)(H,24,28)/t15-/m1/s1
InChIKeyFEWBEEWNNKLNQO-OAHLLOKOSA-N
XLogP1.64
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.93
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2S)-2-acetamido-3-oxo-3-[4-(3-oxomorpholin-4-yl)-2-(trifluoromethyl)anilino]propyl]-5-chlorothiophene-2-carboxamide
CID 91127323
5-chloro-N-[(2R)-2-(cyclobutylmethylamino)-3-oxo-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]thiophene-2-carboxamide
CID 90719385
4-[(5-chlorothiophene-2-carbonyl)amino]-5-oxo-5-[4-(3-oxomorpholin-4-yl)anilino]pentanoic acid
CID 68885043
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-[(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-[3-(4-hydroxyphenyl)-1-oxo-1-[4-(3-oxomorpholin-4-yl)anilino]propan-2-yl]thiophene-2-carboxamide
CID 174777567
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-[(2S)-2-[cyclopropyl(2,2-dimethylpropyl)amino]-3-oxo-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]thiophene-2-carboxamide
CID 91561618
5-chloro-N-[(2R)-2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-3-oxo-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]thiophene-2-carboxamide
CID 91148235
5-chloro-N-[(2R)-2-(methylcarbamoylamino)-3-oxo-3-[4-(3-oxomorpholin-4-yl)-3-(trifluoromethyl)anilino]propyl]thiophene-2-carboxamide
CID 91196594
5-chloro-N-[(2S)-3-[2-(difluoromethyl)-4-(3-oxomorpholin-4-yl)anilino]-2-(2-methylpropanoylamino)-3-oxopropyl]thiophene-2-carboxamide
CID 91411359
5-chloro-N-[(2S)-2-[cyclobutyl(cyclobutylmethyl)amino]-3-oxo-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]thiophene-2-carboxamide
CID 140517778

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-acetamido-3-oxo-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]-5-chlorothiophene-2-carboxamide?
The IUPAC name of N-[(2R)-2-acetamido-3-oxo-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]-5-chlorothiophene-2-carboxamide (CID 90883840) is N-[(2R)-2-acetamido-3-oxo-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]-5-chlorothiophene-2-carboxamide.
What is the SMILES notation for N-[(2R)-2-acetamido-3-oxo-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]-5-chlorothiophene-2-carboxamide?
The canonical SMILES for N-[(2R)-2-acetamido-3-oxo-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]-5-chlorothiophene-2-carboxamide is CC(=O)N[C@H](CNC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc(N2CCOCC2=O)cc1.
What is the InChIKey of N-[(2R)-2-acetamido-3-oxo-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]-5-chlorothiophene-2-carboxamide?
The InChIKey is FEWBEEWNNKLNQO-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H21ClN4O5S/c1-12(26)23-15(10-22-20(29)16-6-7-17(21)31-16)19(28)24-13-2-4-14(5-3-13)25-8-9-30-11-18(25)27/h2-7,15H,8-11H2,1H3,(H,22,29)(H,23,26)(H,24,28)/t15-/m1/s1.
What are the key properties of N-[(2R)-2-acetamido-3-oxo-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]-5-chlorothiophene-2-carboxamide?
N-[(2R)-2-acetamido-3-oxo-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]-5-chlorothiophene-2-carboxamide has a molecular weight of 464.93 g/mol, XLogP of 1.64, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-acetamido-3-oxo-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]-5-chlorothiophene-2-carboxamide is sourced from PubChem (CID 90883840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).