(2R)-2-acetamido-3-(1H-indol-3-yl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]propanamide

C22H22N4O3S — CID 51926679

IUPAC(2R)-2-acetamido-3-(1H-indol-3-yl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]propanamide
SMILESCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(-c2csc(C)n2)o1
InChIInChI=1S/C22H22N4O3S/c1-13(27)25-19(9-15-10-23-18-6-4-3-5-17(15)18)22(28)24-11-16-7-8-21(29-16)20-12-30-14(2)26-20/h3-8,10,12,19,23H,9,11H2,1-2H3,(H,24,28)(H,25,27)/t19-/m1/s1
InChIKeyWYMZUUJREREGHO-LJQANCHMSA-N
MW422.51 g/mol
LogP3.56
Rot. Bonds7

About (2R)-2-acetamido-3-(1H-indol-3-yl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]propanamide

(2R)-2-acetamido-3-(1H-indol-3-yl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]propanamide (PubChem CID 51926679) has the molecular formula C22H22N4O3S and a molecular weight of 422.51 g/mol. Its IUPAC name is (2R)-2-acetamido-3-(1H-indol-3-yl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-acetamido-3-(1H-indol-3-yl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]propanamide
PubChem CID51926679
Molecular FormulaC22H22N4O3S
Molecular Weight422.51 g/mol
Exact Mass422.14
IUPAC Name(2R)-2-acetamido-3-(1H-indol-3-yl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]propanamide
SMILESCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(-c2csc(C)n2)o1
InChIInChI=1S/C22H22N4O3S/c1-13(27)25-19(9-15-10-23-18-6-4-3-5-17(15)18)22(28)24-11-16-7-8-21(29-16)20-12-30-14(2)26-20/h3-8,10,12,19,23H,9,11H2,1-2H3,(H,24,28)(H,25,27)/t19-/m1/s1
InChIKeyWYMZUUJREREGHO-LJQANCHMSA-N
XLogP3.56
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-acetamido-3-(1H-indol-3-yl)-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 74629777
(2R)-2-acetamido-N-[(2-fluorophenyl)methyl]-3-(1H-indol-3-yl)propanamide
CID 2206716
2-acetamido-N-(1H-benzimidazol-2-ylmethyl)-3-(1H-indol-3-yl)propanamide
CID 78790797
2-acetamido-3-(1H-indol-3-yl)-N-(1H-indol-2-ylmethyl)propanamide
CID 47086404
ethyl 2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]acetate
CID 101206740
2-acetamido-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide
CID 78828074
(2S)-2-acetamido-3-(1H-indol-3-yl)-N-propan-2-ylpropanamide
CID 40720853
(2S)-2-acetamido-3-(1H-indol-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 39978358
2-acetamido-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide
CID 78828161
(2S)-2-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-3-(1H-indol-3-yl)propanamide
CID 990959
N-[1-(furan-2-ylmethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
CID 55648130
2-acetamido-N-[2-(diethylamino)propyl]-3-(1H-indol-3-yl)propanamide
CID 55683583

Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamido-3-(1H-indol-3-yl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]propanamide?
The IUPAC name of (2R)-2-acetamido-3-(1H-indol-3-yl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]propanamide (CID 51926679) is (2R)-2-acetamido-3-(1H-indol-3-yl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]propanamide.
What is the SMILES notation for (2R)-2-acetamido-3-(1H-indol-3-yl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]propanamide?
The canonical SMILES for (2R)-2-acetamido-3-(1H-indol-3-yl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]propanamide is CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(-c2csc(C)n2)o1.
What is the InChIKey of (2R)-2-acetamido-3-(1H-indol-3-yl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]propanamide?
The InChIKey is WYMZUUJREREGHO-LJQANCHMSA-N. The full InChI is InChI=1S/C22H22N4O3S/c1-13(27)25-19(9-15-10-23-18-6-4-3-5-17(15)18)22(28)24-11-16-7-8-21(29-16)20-12-30-14(2)26-20/h3-8,10,12,19,23H,9,11H2,1-2H3,(H,24,28)(H,25,27)/t19-/m1/s1.
What are the key properties of (2R)-2-acetamido-3-(1H-indol-3-yl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]propanamide?
(2R)-2-acetamido-3-(1H-indol-3-yl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]propanamide has a molecular weight of 422.51 g/mol, XLogP of 3.56, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-3-(1H-indol-3-yl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]propanamide is sourced from PubChem (CID 51926679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).