N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-1-oxoisothiochromene-3-carboxamide

C20H19NO3S — CID 51498075

IUPACN-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-1-oxoisothiochromene-3-carboxamide
SMILESCOc1ccccc1C[C@H](C)NC(=O)c1cc2ccccc2c(=O)s1
InChIInChI=1S/C20H19NO3S/c1-13(11-15-8-4-6-10-17(15)24-2)21-19(22)18-12-14-7-3-5-9-16(14)20(23)25-18/h3-10,12-13H,11H2,1-2H3,(H,21,22)/t13-/m0/s1
InChIKeyBFILQJOZMUYKBO-ZDUSSCGKSA-N
MW353.44 g/mol
LogP3.63
Rot. Bonds5

About N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-1-oxoisothiochromene-3-carboxamide

N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-1-oxoisothiochromene-3-carboxamide (PubChem CID 51498075) has the molecular formula C20H19NO3S and a molecular weight of 353.44 g/mol. Its IUPAC name is N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-1-oxoisothiochromene-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-1-oxoisothiochromene-3-carboxamide
PubChem CID51498075
Molecular FormulaC20H19NO3S
Molecular Weight353.44 g/mol
Exact Mass353.11
IUPAC NameN-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-1-oxoisothiochromene-3-carboxamide
SMILESCOc1ccccc1C[C@H](C)NC(=O)c1cc2ccccc2c(=O)s1
InChIInChI=1S/C20H19NO3S/c1-13(11-15-8-4-6-10-17(15)24-2)21-19(22)18-12-14-7-3-5-9-16(14)20(23)25-18/h3-10,12-13H,11H2,1-2H3,(H,21,22)/t13-/m0/s1
InChIKeyBFILQJOZMUYKBO-ZDUSSCGKSA-N
XLogP3.63
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-1-oxoisothiochromene-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(2-methoxyphenyl)methyl]-1-oxoisothiochromene-3-carboxamide
CID 17015294
1-(2-methoxyphenyl)propan-2-ylurea
CID 21433825
5-hydroxy-N-[1-(2-methoxyphenyl)propan-2-yl]pyridine-3-carboxamide
CID 63859035
5-acetyl-N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]thiophene-3-carboxamide
CID 51498143
N-[1-(2-methoxyphenyl)propan-2-yl]-3-oxobutanamide
CID 54867173
3-amino-4-[1-(2-methoxyphenyl)propan-2-ylamino]-4-oxobutanoic acid
CID 64896685
2-amino-3,3,3-trifluoro-N-[1-(2-methoxyphenyl)propan-2-yl]-2-methylpropanamide
CID 79792524
methyl (2S)-2-[1-(2-methoxyphenyl)propan-2-ylamino]propanoate
CID 43786749
N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]-2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxamide
CID 51498116
3-chloro-N-[1-(2-methoxyphenyl)propan-2-yl]propanamide
CID 54867469
phenyl N-[1-(2-methoxyphenyl)propan-2-yl]carbamate
CID 61068601
4-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-1-methylpyrazole-3-carboxamide
CID 65353910

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-1-oxoisothiochromene-3-carboxamide?
The IUPAC name of N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-1-oxoisothiochromene-3-carboxamide (CID 51498075) is N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-1-oxoisothiochromene-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-1-oxoisothiochromene-3-carboxamide?
The canonical SMILES for N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-1-oxoisothiochromene-3-carboxamide is COc1ccccc1C[C@H](C)NC(=O)c1cc2ccccc2c(=O)s1.
What is the InChIKey of N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-1-oxoisothiochromene-3-carboxamide?
The InChIKey is BFILQJOZMUYKBO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H19NO3S/c1-13(11-15-8-4-6-10-17(15)24-2)21-19(22)18-12-14-7-3-5-9-16(14)20(23)25-18/h3-10,12-13H,11H2,1-2H3,(H,21,22)/t13-/m0/s1.
What are the key properties of N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-1-oxoisothiochromene-3-carboxamide?
N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-1-oxoisothiochromene-3-carboxamide has a molecular weight of 353.44 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-1-oxoisothiochromene-3-carboxamide is sourced from PubChem (CID 51498075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).