N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-3-thiophen-2-ylpropanamide

C16H26N2O2S — CID 94249164

IUPACN-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-3-thiophen-2-ylpropanamide
SMILESCC(C)[C@@H](CNC(=O)CCc1cccs1)N1CCOCC1
InChIInChI=1S/C16H26N2O2S/c1-13(2)15(18-7-9-20-10-8-18)12-17-16(19)6-5-14-4-3-11-21-14/h3-4,11,13,15H,5-10,12H2,1-2H3,(H,17,19)/t15-/m1/s1
InChIKeyVQNGBZKRYIEUSQ-OAHLLOKOSA-N
MW310.46 g/mol
LogP2.15
Rot. Bonds7

About N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-3-thiophen-2-ylpropanamide

N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-3-thiophen-2-ylpropanamide (PubChem CID 94249164) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-3-thiophen-2-ylpropanamide
PubChem CID94249164
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC NameN-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-3-thiophen-2-ylpropanamide
SMILESCC(C)[C@@H](CNC(=O)CCc1cccs1)N1CCOCC1
InChIInChI=1S/C16H26N2O2S/c1-13(2)15(18-7-9-20-10-8-18)12-17-16(19)6-5-14-4-3-11-21-14/h3-4,11,13,15H,5-10,12H2,1-2H3,(H,17,19)/t15-/m1/s1
InChIKeyVQNGBZKRYIEUSQ-OAHLLOKOSA-N
XLogP2.15
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methyl-2-pyrrolidin-1-ylbutyl)-2-thiophen-2-ylacetamide
CID 110402982
N-(3-methyl-2-morpholin-4-ylbutyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 42943235
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-methyl-2-morpholin-4-ylbutyl)propanamide
CID 43067318
5-(4-bromophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)pentanamide
CID 55758909
N-(3-methyl-2-morpholin-4-ylbutyl)-2-(thiophene-2-carbonyl)benzamide
CID 55518986
2-(2,6-dichlorophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide
CID 55520442
N-[(2R)-2-(ethylamino)propyl]-3-thiophen-2-ylpropanamide
CID 120655245
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(3-methyl-2-morpholin-4-ylbutyl)propanamide
CID 55520546
4-(4-methoxyphenoxy)-N-(3-methyl-2-morpholin-4-ylbutyl)butanamide
CID 55519495
N-[4-[[(2R)-3-methyl-2-morpholin-4-ylbutyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 25473941
2-(4-bromophenoxy)-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide
CID 18153802
N-(3-ethyl-2-morpholin-4-ylpentyl)-3-thiophen-3-ylpropanamide
CID 134053099

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-3-thiophen-2-ylpropanamide?
The IUPAC name of N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-3-thiophen-2-ylpropanamide (CID 94249164) is N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-3-thiophen-2-ylpropanamide is CC(C)[C@@H](CNC(=O)CCc1cccs1)N1CCOCC1.
What is the InChIKey of N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-3-thiophen-2-ylpropanamide?
The InChIKey is VQNGBZKRYIEUSQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-13(2)15(18-7-9-20-10-8-18)12-17-16(19)6-5-14-4-3-11-21-14/h3-4,11,13,15H,5-10,12H2,1-2H3,(H,17,19)/t15-/m1/s1.
What are the key properties of N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-3-thiophen-2-ylpropanamide?
N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-3-thiophen-2-ylpropanamide has a molecular weight of 310.46 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 94249164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).