4-methoxy-N-(2-morpholin-4-ylethyl)-N-[2-oxo-2-[(3R)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethyl]benzamide

C29H32N4O4S — CID 98438063

IUPAC4-methoxy-N-(2-morpholin-4-ylethyl)-N-[2-oxo-2-[(3R)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethyl]benzamide
SMILESCOc1ccc(C(=O)N(CCN2CCOCC2)CC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C29H32N4O4S/c1-36-24-11-9-23(10-12-24)29(35)32(14-13-31-15-17-37-18-16-31)21-28(34)33-26(22-6-3-2-4-7-22)20-25(30-33)27-8-5-19-38-27/h2-12,19,26H,13-18,20-21H2,1H3/t26-/m1/s1
InChIKeyBWCDYMMBARIGAK-AREMUKBSSA-N
MW532.67 g/mol
LogP3.91
Rot. Bonds9

About 4-methoxy-N-(2-morpholin-4-ylethyl)-N-[2-oxo-2-[(3R)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethyl]benzamide

4-methoxy-N-(2-morpholin-4-ylethyl)-N-[2-oxo-2-[(3R)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethyl]benzamide (PubChem CID 98438063) has the molecular formula C29H32N4O4S and a molecular weight of 532.67 g/mol. Its IUPAC name is 4-methoxy-N-(2-morpholin-4-ylethyl)-N-[2-oxo-2-[(3R)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-(2-morpholin-4-ylethyl)-N-[2-oxo-2-[(3R)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethyl]benzamide
PubChem CID98438063
Molecular FormulaC29H32N4O4S
Molecular Weight532.67 g/mol
Exact Mass532.21
IUPAC Name4-methoxy-N-(2-morpholin-4-ylethyl)-N-[2-oxo-2-[(3R)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethyl]benzamide
SMILESCOc1ccc(C(=O)N(CCN2CCOCC2)CC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C29H32N4O4S/c1-36-24-11-9-23(10-12-24)29(35)32(14-13-31-15-17-37-18-16-31)21-28(34)33-26(22-6-3-2-4-7-22)20-25(30-33)27-8-5-19-38-27/h2-12,19,26H,13-18,20-21H2,1H3/t26-/m1/s1
InChIKeyBWCDYMMBARIGAK-AREMUKBSSA-N
XLogP3.91
TPSA74.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.67
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-methoxy-N-[2-[(3R)-3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 98439400
3-fluoro-N-[2-[(3R)-3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 98438589
N-[2-[3-(2-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-4-methoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 83274996
N-[2-[(3S)-5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide
CID 98438537
1-[2-[(3S)-3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1-(2-morpholin-4-ylethyl)-3-propan-2-ylurea
CID 93130248
N-[2-[3-(2,5-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide
CID 51067632
N-[2-[3-(2,5-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-3-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 51067639
1-[2-[(3S)-3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1-(2-morpholin-4-ylethyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 98445020
N-[2-[(3R)-3-(2-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide
CID 98405458
2-chloro-N-[2-[(3S)-3-(2,5-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 98374083
N-[2-[(3R)-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide
CID 93130687
N-[2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide
CID 51067612

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(2-morpholin-4-ylethyl)-N-[2-oxo-2-[(3R)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethyl]benzamide?
The IUPAC name of 4-methoxy-N-(2-morpholin-4-ylethyl)-N-[2-oxo-2-[(3R)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethyl]benzamide (CID 98438063) is 4-methoxy-N-(2-morpholin-4-ylethyl)-N-[2-oxo-2-[(3R)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethyl]benzamide.
What is the SMILES notation for 4-methoxy-N-(2-morpholin-4-ylethyl)-N-[2-oxo-2-[(3R)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethyl]benzamide?
The canonical SMILES for 4-methoxy-N-(2-morpholin-4-ylethyl)-N-[2-oxo-2-[(3R)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethyl]benzamide is COc1ccc(C(=O)N(CCN2CCOCC2)CC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccccc2)cc1.
What is the InChIKey of 4-methoxy-N-(2-morpholin-4-ylethyl)-N-[2-oxo-2-[(3R)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethyl]benzamide?
The InChIKey is BWCDYMMBARIGAK-AREMUKBSSA-N. The full InChI is InChI=1S/C29H32N4O4S/c1-36-24-11-9-23(10-12-24)29(35)32(14-13-31-15-17-37-18-16-31)21-28(34)33-26(22-6-3-2-4-7-22)20-25(30-33)27-8-5-19-38-27/h2-12,19,26H,13-18,20-21H2,1H3/t26-/m1/s1.
What are the key properties of 4-methoxy-N-(2-morpholin-4-ylethyl)-N-[2-oxo-2-[(3R)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethyl]benzamide?
4-methoxy-N-(2-morpholin-4-ylethyl)-N-[2-oxo-2-[(3R)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethyl]benzamide has a molecular weight of 532.67 g/mol, XLogP of 3.91, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(2-morpholin-4-ylethyl)-N-[2-oxo-2-[(3R)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 98438063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).