(3S)-3-acetamido-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-3-thiophen-2-ylpropanamide

C22H23N3O5S — CID 51476944

IUPAC(3S)-3-acetamido-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-3-thiophen-2-ylpropanamide
SMILESCC(=O)N[C@@H](CC(=O)Nc1c(C(=O)N2CCOCC2)oc2ccccc12)c1cccs1
InChIInChI=1S/C22H23N3O5S/c1-14(26)23-16(18-7-4-12-31-18)13-19(27)24-20-15-5-2-3-6-17(15)30-21(20)22(28)25-8-10-29-11-9-25/h2-7,12,16H,8-11,13H2,1H3,(H,23,26)(H,24,27)/t16-/m0/s1
InChIKeyFDNOKYZVKGIWJH-INIZCTEOSA-N
MW441.51 g/mol
LogP3.17
Rot. Bonds6

About (3S)-3-acetamido-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-3-thiophen-2-ylpropanamide

(3S)-3-acetamido-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-3-thiophen-2-ylpropanamide (PubChem CID 51476944) has the molecular formula C22H23N3O5S and a molecular weight of 441.51 g/mol. Its IUPAC name is (3S)-3-acetamido-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name(3S)-3-acetamido-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-3-thiophen-2-ylpropanamide
PubChem CID51476944
Molecular FormulaC22H23N3O5S
Molecular Weight441.51 g/mol
Exact Mass441.14
IUPAC Name(3S)-3-acetamido-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-3-thiophen-2-ylpropanamide
SMILESCC(=O)N[C@@H](CC(=O)Nc1c(C(=O)N2CCOCC2)oc2ccccc12)c1cccs1
InChIInChI=1S/C22H23N3O5S/c1-14(26)23-16(18-7-4-12-31-18)13-19(27)24-20-15-5-2-3-6-17(15)30-21(20)22(28)25-8-10-29-11-9-25/h2-7,12,16H,8-11,13H2,1H3,(H,23,26)(H,24,27)/t16-/m0/s1
InChIKeyFDNOKYZVKGIWJH-INIZCTEOSA-N
XLogP3.17
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-morpholin-4-yl-3-oxo-1-thiophen-2-ylpropyl)acetamide
CID 47017273
2-(2-fluorophenyl)sulfanyl-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]acetamide
CID 46615853
3-cyclopropyl-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]propanamide
CID 71931115
(3R)-3-acetamido-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-3-thiophen-2-ylpropanamide
CID 94116517
(3S)-3-acetamido-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-3-thiophen-2-ylpropanamide
CID 94116515
N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 24535200
N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 24501964
(2S)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-2-phenoxypropanamide
CID 51457035
N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]pyridine-4-carboxamide
CID 17419143
2-ethoxy-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzamide
CID 20926220
2-chloro-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzamide
CID 17462897
4-fluoro-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzamide
CID 7614430

Frequently Asked Questions

What is the IUPAC name of (3S)-3-acetamido-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-3-thiophen-2-ylpropanamide?
The IUPAC name of (3S)-3-acetamido-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-3-thiophen-2-ylpropanamide (CID 51476944) is (3S)-3-acetamido-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-3-thiophen-2-ylpropanamide.
What is the SMILES notation for (3S)-3-acetamido-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-3-thiophen-2-ylpropanamide?
The canonical SMILES for (3S)-3-acetamido-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-3-thiophen-2-ylpropanamide is CC(=O)N[C@@H](CC(=O)Nc1c(C(=O)N2CCOCC2)oc2ccccc12)c1cccs1.
What is the InChIKey of (3S)-3-acetamido-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-3-thiophen-2-ylpropanamide?
The InChIKey is FDNOKYZVKGIWJH-INIZCTEOSA-N. The full InChI is InChI=1S/C22H23N3O5S/c1-14(26)23-16(18-7-4-12-31-18)13-19(27)24-20-15-5-2-3-6-17(15)30-21(20)22(28)25-8-10-29-11-9-25/h2-7,12,16H,8-11,13H2,1H3,(H,23,26)(H,24,27)/t16-/m0/s1.
What are the key properties of (3S)-3-acetamido-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-3-thiophen-2-ylpropanamide?
(3S)-3-acetamido-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-3-thiophen-2-ylpropanamide has a molecular weight of 441.51 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-acetamido-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 51476944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).