N-[(2S)-3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide

C18H21N3O4S — CID 6724682

IUPACN-[(2S)-3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESO=C(N[C@@H](CO)C(=O)Nc1ccc(N2CCOCC2)cc1)c1cccs1
InChIInChI=1S/C18H21N3O4S/c22-12-15(20-18(24)16-2-1-11-26-16)17(23)19-13-3-5-14(6-4-13)21-7-9-25-10-8-21/h1-6,11,15,22H,7-10,12H2,(H,19,23)(H,20,24)/t15-/m0/s1
InChIKeyDEZUDWQCGOPTMA-HNNXBMFYSA-N
MW375.45 g/mol
LogP1.31
Rot. Bonds6

About N-[(2S)-3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide

N-[(2S)-3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide (PubChem CID 6724682) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is N-[(2S)-3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
PubChem CID6724682
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC NameN-[(2S)-3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESO=C(N[C@@H](CO)C(=O)Nc1ccc(N2CCOCC2)cc1)c1cccs1
InChIInChI=1S/C18H21N3O4S/c22-12-15(20-18(24)16-2-1-11-26-16)17(23)19-13-3-5-14(6-4-13)21-7-9-25-10-8-21/h1-6,11,15,22H,7-10,12H2,(H,19,23)(H,20,24)/t15-/m0/s1
InChIKeyDEZUDWQCGOPTMA-HNNXBMFYSA-N
XLogP1.31
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]-3-methoxybenzamide
CID 6723845
2-hydroxy-N-[3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]-5-pyrrol-1-ylbenzamide
CID 4170146
N-[(2S)-3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]quinoxaline-2-carboxamide
CID 6723497
N-[3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]quinoline-3-carboxamide
CID 4228233
N-[(2S)-3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide
CID 6722855
3-amino-4-(4-morpholin-4-ylanilino)-4-oxobutanoic acid
CID 64894969
N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]thiophene-2-carboxamide
CID 6906036
N-[(2R)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 9117695
N-[(2S)-3-hydroxy-1-(3-methoxyanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 6724691
N-(4-morpholin-4-ylphenyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
CID 90511231
N-[(2S)-1-[4-(4-benzylpiperazin-1-yl)anilino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 41083263
N-[4-(4-ethylpiperazin-1-yl)phenyl]thiophene-2-carboxamide
CID 7341667

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[(2S)-3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide (CID 6724682) is N-[(2S)-3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(2S)-3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[(2S)-3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide is O=C(N[C@@H](CO)C(=O)Nc1ccc(N2CCOCC2)cc1)c1cccs1.
What is the InChIKey of N-[(2S)-3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide?
The InChIKey is DEZUDWQCGOPTMA-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c22-12-15(20-18(24)16-2-1-11-26-16)17(23)19-13-3-5-14(6-4-13)21-7-9-25-10-8-21/h1-6,11,15,22H,7-10,12H2,(H,19,23)(H,20,24)/t15-/m0/s1.
What are the key properties of N-[(2S)-3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide?
N-[(2S)-3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide has a molecular weight of 375.45 g/mol, XLogP of 1.31, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 6724682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).