N-[4-[[(2R)-3-methyl-2-morpholin-4-ylbutyl]carbamoyl]phenyl]thiophene-2-carboxamide

C21H27N3O3S — CID 25473941

IUPACN-[4-[[(2R)-3-methyl-2-morpholin-4-ylbutyl]carbamoyl]phenyl]thiophene-2-carboxamide
SMILESCC(C)[C@H](CNC(=O)c1ccc(NC(=O)c2cccs2)cc1)N1CCOCC1
InChIInChI=1S/C21H27N3O3S/c1-15(2)18(24-9-11-27-12-10-24)14-22-20(25)16-5-7-17(8-6-16)23-21(26)19-4-3-13-28-19/h3-8,13,15,18H,9-12,14H2,1-2H3,(H,22,25)(H,23,26)/t18-/m0/s1
InChIKeySYARRQYYAXJCLM-SFHVURJKSA-N
MW401.53 g/mol
LogP3.09
Rot. Bonds7

About N-[4-[[(2R)-3-methyl-2-morpholin-4-ylbutyl]carbamoyl]phenyl]thiophene-2-carboxamide

N-[4-[[(2R)-3-methyl-2-morpholin-4-ylbutyl]carbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 25473941) has the molecular formula C21H27N3O3S and a molecular weight of 401.53 g/mol. Its IUPAC name is N-[4-[[(2R)-3-methyl-2-morpholin-4-ylbutyl]carbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[(2R)-3-methyl-2-morpholin-4-ylbutyl]carbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID25473941
Molecular FormulaC21H27N3O3S
Molecular Weight401.53 g/mol
Exact Mass401.18
IUPAC NameN-[4-[[(2R)-3-methyl-2-morpholin-4-ylbutyl]carbamoyl]phenyl]thiophene-2-carboxamide
SMILESCC(C)[C@H](CNC(=O)c1ccc(NC(=O)c2cccs2)cc1)N1CCOCC1
InChIInChI=1S/C21H27N3O3S/c1-15(2)18(24-9-11-27-12-10-24)14-22-20(25)16-5-7-17(8-6-16)23-21(26)19-4-3-13-28-19/h3-8,13,15,18H,9-12,14H2,1-2H3,(H,22,25)(H,23,26)/t18-/m0/s1
InChIKeySYARRQYYAXJCLM-SFHVURJKSA-N
XLogP3.09
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[[(2R)-3-methyl-2-morpholin-4-ylbutyl]carbamoyl]phenyl]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[(3-ethyl-2-morpholin-4-ylpentyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 43046396
N-[4-[(3-methyl-2-morpholin-4-ylbutyl)carbamoyl]phenyl]furan-2-carboxamide
CID 18153813
N-[4-[[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 31429464
N-(3-methyl-2-morpholin-4-ylbutyl)-2-(thiophene-2-carbonyl)benzamide
CID 55518986
N-[4-(morpholine-4-carbonyl)phenyl]thiophene-2-carboxamide
CID 653867
N-[3-[[N'-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)carbamimidoyl]amino]propyl]thiophene-2-carboxamide;hydroiodide
CID 111930582
N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]naphthalene-2-carboxamide
CID 25497917
N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-4-nitrobenzamide
CID 30379685
4-(4-fluorophenoxy)-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]benzamide
CID 32627981
N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-3-thiophen-2-ylpropanamide
CID 94249164
N-[4-[(6-morpholin-4-yl-3-pyridinyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 29320346
2-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)benzamide
CID 110402733

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2R)-3-methyl-2-morpholin-4-ylbutyl]carbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[[(2R)-3-methyl-2-morpholin-4-ylbutyl]carbamoyl]phenyl]thiophene-2-carboxamide (CID 25473941) is N-[4-[[(2R)-3-methyl-2-morpholin-4-ylbutyl]carbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[[(2R)-3-methyl-2-morpholin-4-ylbutyl]carbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[[(2R)-3-methyl-2-morpholin-4-ylbutyl]carbamoyl]phenyl]thiophene-2-carboxamide is CC(C)[C@H](CNC(=O)c1ccc(NC(=O)c2cccs2)cc1)N1CCOCC1.
What is the InChIKey of N-[4-[[(2R)-3-methyl-2-morpholin-4-ylbutyl]carbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is SYARRQYYAXJCLM-SFHVURJKSA-N. The full InChI is InChI=1S/C21H27N3O3S/c1-15(2)18(24-9-11-27-12-10-24)14-22-20(25)16-5-7-17(8-6-16)23-21(26)19-4-3-13-28-19/h3-8,13,15,18H,9-12,14H2,1-2H3,(H,22,25)(H,23,26)/t18-/m0/s1.
What are the key properties of N-[4-[[(2R)-3-methyl-2-morpholin-4-ylbutyl]carbamoyl]phenyl]thiophene-2-carboxamide?
N-[4-[[(2R)-3-methyl-2-morpholin-4-ylbutyl]carbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 401.53 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2R)-3-methyl-2-morpholin-4-ylbutyl]carbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 25473941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).