(2R,3S)-3-[5-[3-chloro-4-(morpholine-4-carbonyl)phenyl]thiophen-2-yl]-3-(3-fluorophenyl)-2-methyl-N-(1,3,4-thiadiazol-2-yl)propanamide

C27H24ClFN4O3S2 — CID 59138515

IUPAC(2R,3S)-3-[5-[3-chloro-4-(morpholine-4-carbonyl)phenyl]thiophen-2-yl]-3-(3-fluorophenyl)-2-methyl-N-(1,3,4-thiadiazol-2-yl)propanamide
SMILESC[C@@H](C(=O)Nc1nncs1)[C@@H](c1cccc(F)c1)c1ccc(-c2ccc(C(=O)N3CCOCC3)c(Cl)c2)s1
InChIInChI=1S/C27H24ClFN4O3S2/c1-16(25(34)31-27-32-30-15-37-27)24(18-3-2-4-19(29)13-18)23-8-7-22(38-23)17-5-6-20(21(28)14-17)26(35)33-9-11-36-12-10-33/h2-8,13-16,24H,9-12H2,1H3,(H,31,32,34)/t16-,24+/m1/s1
InChIKeyRPNOUBZEDBYRQF-GYCJOSAFSA-N
MW571.10 g/mol
LogP5.94
Rot. Bonds7

About (2R,3S)-3-[5-[3-chloro-4-(morpholine-4-carbonyl)phenyl]thiophen-2-yl]-3-(3-fluorophenyl)-2-methyl-N-(1,3,4-thiadiazol-2-yl)propanamide

(2R,3S)-3-[5-[3-chloro-4-(morpholine-4-carbonyl)phenyl]thiophen-2-yl]-3-(3-fluorophenyl)-2-methyl-N-(1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 59138515) has the molecular formula C27H24ClFN4O3S2 and a molecular weight of 571.10 g/mol. Its IUPAC name is (2R,3S)-3-[5-[3-chloro-4-(morpholine-4-carbonyl)phenyl]thiophen-2-yl]-3-(3-fluorophenyl)-2-methyl-N-(1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2R,3S)-3-[5-[3-chloro-4-(morpholine-4-carbonyl)phenyl]thiophen-2-yl]-3-(3-fluorophenyl)-2-methyl-N-(1,3,4-thiadiazol-2-yl)propanamide
PubChem CID59138515
Molecular FormulaC27H24ClFN4O3S2
Molecular Weight571.10 g/mol
Exact Mass570.10
IUPAC Name(2R,3S)-3-[5-[3-chloro-4-(morpholine-4-carbonyl)phenyl]thiophen-2-yl]-3-(3-fluorophenyl)-2-methyl-N-(1,3,4-thiadiazol-2-yl)propanamide
SMILESC[C@@H](C(=O)Nc1nncs1)[C@@H](c1cccc(F)c1)c1ccc(-c2ccc(C(=O)N3CCOCC3)c(Cl)c2)s1
InChIInChI=1S/C27H24ClFN4O3S2/c1-16(25(34)31-27-32-30-15-37-27)24(18-3-2-4-19(29)13-18)23-8-7-22(38-23)17-5-6-20(21(28)14-17)26(35)33-9-11-36-12-10-33/h2-8,13-16,24H,9-12H2,1H3,(H,31,32,34)/t16-,24+/m1/s1
InChIKeyRPNOUBZEDBYRQF-GYCJOSAFSA-N
XLogP5.94
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.10
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2R,3S)-3-[5-[3-chloro-4-(morpholine-4-carbonyl)phenyl]thiophen-2-yl]-3-(3-fluorophenyl)-2-methyl-N-(1,3,4-thiadiazol-2-yl)propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-[5-[3-chloro-4-(morpholine-4-carbonyl)phenyl]thiophen-2-yl]-3-(3-fluorophenyl)-2-methyl-N-(1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of (2R,3S)-3-[5-[3-chloro-4-(morpholine-4-carbonyl)phenyl]thiophen-2-yl]-3-(3-fluorophenyl)-2-methyl-N-(1,3,4-thiadiazol-2-yl)propanamide (CID 59138515) is (2R,3S)-3-[5-[3-chloro-4-(morpholine-4-carbonyl)phenyl]thiophen-2-yl]-3-(3-fluorophenyl)-2-methyl-N-(1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for (2R,3S)-3-[5-[3-chloro-4-(morpholine-4-carbonyl)phenyl]thiophen-2-yl]-3-(3-fluorophenyl)-2-methyl-N-(1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for (2R,3S)-3-[5-[3-chloro-4-(morpholine-4-carbonyl)phenyl]thiophen-2-yl]-3-(3-fluorophenyl)-2-methyl-N-(1,3,4-thiadiazol-2-yl)propanamide is C[C@@H](C(=O)Nc1nncs1)[C@@H](c1cccc(F)c1)c1ccc(-c2ccc(C(=O)N3CCOCC3)c(Cl)c2)s1.
What is the InChIKey of (2R,3S)-3-[5-[3-chloro-4-(morpholine-4-carbonyl)phenyl]thiophen-2-yl]-3-(3-fluorophenyl)-2-methyl-N-(1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is RPNOUBZEDBYRQF-GYCJOSAFSA-N. The full InChI is InChI=1S/C27H24ClFN4O3S2/c1-16(25(34)31-27-32-30-15-37-27)24(18-3-2-4-19(29)13-18)23-8-7-22(38-23)17-5-6-20(21(28)14-17)26(35)33-9-11-36-12-10-33/h2-8,13-16,24H,9-12H2,1H3,(H,31,32,34)/t16-,24+/m1/s1.
What are the key properties of (2R,3S)-3-[5-[3-chloro-4-(morpholine-4-carbonyl)phenyl]thiophen-2-yl]-3-(3-fluorophenyl)-2-methyl-N-(1,3,4-thiadiazol-2-yl)propanamide?
(2R,3S)-3-[5-[3-chloro-4-(morpholine-4-carbonyl)phenyl]thiophen-2-yl]-3-(3-fluorophenyl)-2-methyl-N-(1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 571.10 g/mol, XLogP of 5.94, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-[5-[3-chloro-4-(morpholine-4-carbonyl)phenyl]thiophen-2-yl]-3-(3-fluorophenyl)-2-methyl-N-(1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 59138515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).