2-[3-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]propanoylamino]thiophene-3-carboxamide

C18H20ClN3O3S — CID 51965045

IUPAC2-[3-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]propanoylamino]thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)CCN1CCO[C@@H](c2ccc(Cl)cc2)C1
InChIInChI=1S/C18H20ClN3O3S/c19-13-3-1-12(2-4-13)15-11-22(8-9-25-15)7-5-16(23)21-18-14(17(20)24)6-10-26-18/h1-4,6,10,15H,5,7-9,11H2,(H2,20,24)(H,21,23)/t15-/m1/s1
InChIKeyVLPZJLDGSAKSQO-OAHLLOKOSA-N
MW393.90 g/mol
LogP2.90
Rot. Bonds6

About 2-[3-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]propanoylamino]thiophene-3-carboxamide

2-[3-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]propanoylamino]thiophene-3-carboxamide (PubChem CID 51965045) has the molecular formula C18H20ClN3O3S and a molecular weight of 393.90 g/mol. Its IUPAC name is 2-[3-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]propanoylamino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[3-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]propanoylamino]thiophene-3-carboxamide
PubChem CID51965045
Molecular FormulaC18H20ClN3O3S
Molecular Weight393.90 g/mol
Exact Mass393.09
IUPAC Name2-[3-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]propanoylamino]thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)CCN1CCO[C@@H](c2ccc(Cl)cc2)C1
InChIInChI=1S/C18H20ClN3O3S/c19-13-3-1-12(2-4-13)15-11-22(8-9-25-15)7-5-16(23)21-18-14(17(20)24)6-10-26-18/h1-4,6,10,15H,5,7-9,11H2,(H2,20,24)(H,21,23)/t15-/m1/s1
InChIKeyVLPZJLDGSAKSQO-OAHLLOKOSA-N
XLogP2.90
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.90
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]propanoylamino]thiophene-3-carboxamide
CID 51965044
2-[[2-[(2S)-2-phenylmorpholin-4-yl]acetyl]amino]thiophene-3-carboxamide
CID 36732639
2-[[2-(2-phenylmorpholin-4-yl)acetyl]amino]thiophene-3-carboxamide
CID 71942816
3-(2-phenylmorpholin-4-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 91837781
2-[[2-[(2S)-2-methylmorpholin-4-yl]acetyl]amino]thiophene-3-carboxamide
CID 30238407
3-[(2S)-2-(4-bromophenyl)morpholin-4-yl]-N-carbamoylpropanamide
CID 52505045
2-[[2-[2-(hydroxymethyl)morpholin-4-yl]acetyl]amino]thiophene-3-carboxamide
CID 79833534
3-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
CID 51965035
N-(2-fluorophenyl)-3-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]propanamide
CID 30891589
N-(2-fluorophenyl)-3-[2-(4-fluorophenyl)morpholin-4-yl]propanamide
CID 43065711
2-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]ethyl morpholine-4-carboxylate
CID 92969335
2-[3-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]propanoylamino]thiophene-3-carboxamide
CID 56524617

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]propanoylamino]thiophene-3-carboxamide?
The IUPAC name of 2-[3-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]propanoylamino]thiophene-3-carboxamide (CID 51965045) is 2-[3-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]propanoylamino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[3-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]propanoylamino]thiophene-3-carboxamide?
The canonical SMILES for 2-[3-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]propanoylamino]thiophene-3-carboxamide is NC(=O)c1ccsc1NC(=O)CCN1CCO[C@@H](c2ccc(Cl)cc2)C1.
What is the InChIKey of 2-[3-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]propanoylamino]thiophene-3-carboxamide?
The InChIKey is VLPZJLDGSAKSQO-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H20ClN3O3S/c19-13-3-1-12(2-4-13)15-11-22(8-9-25-15)7-5-16(23)21-18-14(17(20)24)6-10-26-18/h1-4,6,10,15H,5,7-9,11H2,(H2,20,24)(H,21,23)/t15-/m1/s1.
What are the key properties of 2-[3-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]propanoylamino]thiophene-3-carboxamide?
2-[3-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]propanoylamino]thiophene-3-carboxamide has a molecular weight of 393.90 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]propanoylamino]thiophene-3-carboxamide is sourced from PubChem (CID 51965045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).