N-[4-[(3-ethyl-2-morpholin-4-ylpentyl)carbamoyl]phenyl]thiophene-2-carboxamide

C23H31N3O3S — CID 43046396

IUPACN-[4-[(3-ethyl-2-morpholin-4-ylpentyl)carbamoyl]phenyl]thiophene-2-carboxamide
SMILESCCC(CC)C(CNC(=O)c1ccc(NC(=O)c2cccs2)cc1)N1CCOCC1
InChIInChI=1S/C23H31N3O3S/c1-3-17(4-2)20(26-11-13-29-14-12-26)16-24-22(27)18-7-9-19(10-8-18)25-23(28)21-6-5-15-30-21/h5-10,15,17,20H,3-4,11-14,16H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyFZXMEPFQGGPFNO-UHFFFAOYSA-N
MW429.59 g/mol
LogP3.87
Rot. Bonds9

About N-[4-[(3-ethyl-2-morpholin-4-ylpentyl)carbamoyl]phenyl]thiophene-2-carboxamide

N-[4-[(3-ethyl-2-morpholin-4-ylpentyl)carbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 43046396) has the molecular formula C23H31N3O3S and a molecular weight of 429.59 g/mol. Its IUPAC name is N-[4-[(3-ethyl-2-morpholin-4-ylpentyl)carbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(3-ethyl-2-morpholin-4-ylpentyl)carbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID43046396
Molecular FormulaC23H31N3O3S
Molecular Weight429.59 g/mol
Exact Mass429.21
IUPAC NameN-[4-[(3-ethyl-2-morpholin-4-ylpentyl)carbamoyl]phenyl]thiophene-2-carboxamide
SMILESCCC(CC)C(CNC(=O)c1ccc(NC(=O)c2cccs2)cc1)N1CCOCC1
InChIInChI=1S/C23H31N3O3S/c1-3-17(4-2)20(26-11-13-29-14-12-26)16-24-22(27)18-7-9-19(10-8-18)25-23(28)21-6-5-15-30-21/h5-10,15,17,20H,3-4,11-14,16H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyFZXMEPFQGGPFNO-UHFFFAOYSA-N
XLogP3.87
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.59
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[(2R)-3-methyl-2-morpholin-4-ylbutyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 25473941
N-[4-[[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 31429464
N-[4-(morpholine-4-carbonyl)phenyl]thiophene-2-carboxamide
CID 653867
N-(3-ethyl-2-morpholin-4-ylpentyl)-1-oxidopyridin-1-ium-3-carboxamide
CID 43046384
4-(difluoromethylsulfonylmethyl)-N-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]benzamide
CID 96534807
1-(3-ethyl-2-morpholin-4-ylpentyl)-3-(4-fluorophenyl)urea
CID 24664998
N-(3-ethyl-2-morpholin-4-ylpentyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78863262
N-[4-[(3-methyl-2-morpholin-4-ylbutyl)carbamoyl]phenyl]furan-2-carboxamide
CID 18153813
N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(propan-2-ylcarbamoylamino)benzamide
CID 46439821
2-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)benzamide
CID 75689586
N-[4-[(6-morpholin-4-yl-3-pyridinyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 29320346
N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(methylsulfinylmethyl)benzamide
CID 134053135

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-ethyl-2-morpholin-4-ylpentyl)carbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[(3-ethyl-2-morpholin-4-ylpentyl)carbamoyl]phenyl]thiophene-2-carboxamide (CID 43046396) is N-[4-[(3-ethyl-2-morpholin-4-ylpentyl)carbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[(3-ethyl-2-morpholin-4-ylpentyl)carbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[(3-ethyl-2-morpholin-4-ylpentyl)carbamoyl]phenyl]thiophene-2-carboxamide is CCC(CC)C(CNC(=O)c1ccc(NC(=O)c2cccs2)cc1)N1CCOCC1.
What is the InChIKey of N-[4-[(3-ethyl-2-morpholin-4-ylpentyl)carbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is FZXMEPFQGGPFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3S/c1-3-17(4-2)20(26-11-13-29-14-12-26)16-24-22(27)18-7-9-19(10-8-18)25-23(28)21-6-5-15-30-21/h5-10,15,17,20H,3-4,11-14,16H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of N-[4-[(3-ethyl-2-morpholin-4-ylpentyl)carbamoyl]phenyl]thiophene-2-carboxamide?
N-[4-[(3-ethyl-2-morpholin-4-ylpentyl)carbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 429.59 g/mol, XLogP of 3.87, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-ethyl-2-morpholin-4-ylpentyl)carbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 43046396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).