3-[(3-chlorophenyl)methylsulfonyl]-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]propanamide

C19H20ClNO4S — CID 92614646

IUPAC3-[(3-chlorophenyl)methylsulfonyl]-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]propanamide
SMILESO=C(CCS(=O)(=O)Cc1cccc(Cl)c1)N[C@H]1CCOc2ccccc21
InChIInChI=1S/C19H20ClNO4S/c20-15-5-3-4-14(12-15)13-26(23,24)11-9-19(22)21-17-8-10-25-18-7-2-1-6-16(17)18/h1-7,12,17H,8-11,13H2,(H,21,22)/t17-/m0/s1
InChIKeyGDICSXKCPJSUTM-KRWDZBQOSA-N
MW393.89 g/mol
LogP3.28
Rot. Bonds6

About 3-[(3-chlorophenyl)methylsulfonyl]-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]propanamide

3-[(3-chlorophenyl)methylsulfonyl]-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]propanamide (PubChem CID 92614646) has the molecular formula C19H20ClNO4S and a molecular weight of 393.89 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)methylsulfonyl]-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]propanamide.

Molecular Properties

Compound Name3-[(3-chlorophenyl)methylsulfonyl]-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]propanamide
PubChem CID92614646
Molecular FormulaC19H20ClNO4S
Molecular Weight393.89 g/mol
Exact Mass393.08
IUPAC Name3-[(3-chlorophenyl)methylsulfonyl]-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]propanamide
SMILESO=C(CCS(=O)(=O)Cc1cccc(Cl)c1)N[C@H]1CCOc2ccccc21
InChIInChI=1S/C19H20ClNO4S/c20-15-5-3-4-14(12-15)13-26(23,24)11-9-19(22)21-17-8-10-25-18-7-2-1-6-16(17)18/h1-7,12,17H,8-11,13H2,(H,21,22)/t17-/m0/s1
InChIKeyGDICSXKCPJSUTM-KRWDZBQOSA-N
XLogP3.28
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.89
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenyl)sulfonyl-N-(3,4-dihydro-2H-chromen-4-yl)propanamide
CID 18193013
2-[(3-chlorophenyl)methyl-propan-2-ylamino]-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 60512921
3-chloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 18164397
4-chloro-N-(3,4-dihydro-2H-chromen-4-yl)butanamide
CID 63309102
3-amino-N-(3,4-dihydro-2H-chromen-4-yl)propanamide;hydrochloride
CID 119268905
N-(3,4-dihydro-2H-chromen-4-yl)-3-(3-methoxyphenyl)propanamide
CID 110750844
5-(3,4-dihydro-2H-chromen-4-ylamino)-5-oxopentanoic acid
CID 43580055
2-chloro-N-[3-(3,4-dihydro-2H-chromen-4-ylamino)-3-oxopropyl]benzamide
CID 17468818
2,5-dichloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 17398547
3,5-dichloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 46813722
N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-4-phenoxybutanamide
CID 108764801
2-benzylsulfanyl-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 18164391

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)methylsulfonyl]-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]propanamide?
The IUPAC name of 3-[(3-chlorophenyl)methylsulfonyl]-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]propanamide (CID 92614646) is 3-[(3-chlorophenyl)methylsulfonyl]-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]propanamide.
What is the SMILES notation for 3-[(3-chlorophenyl)methylsulfonyl]-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]propanamide?
The canonical SMILES for 3-[(3-chlorophenyl)methylsulfonyl]-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]propanamide is O=C(CCS(=O)(=O)Cc1cccc(Cl)c1)N[C@H]1CCOc2ccccc21.
What is the InChIKey of 3-[(3-chlorophenyl)methylsulfonyl]-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]propanamide?
The InChIKey is GDICSXKCPJSUTM-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H20ClNO4S/c20-15-5-3-4-14(12-15)13-26(23,24)11-9-19(22)21-17-8-10-25-18-7-2-1-6-16(17)18/h1-7,12,17H,8-11,13H2,(H,21,22)/t17-/m0/s1.
What are the key properties of 3-[(3-chlorophenyl)methylsulfonyl]-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]propanamide?
3-[(3-chlorophenyl)methylsulfonyl]-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]propanamide has a molecular weight of 393.89 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)methylsulfonyl]-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]propanamide is sourced from PubChem (CID 92614646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).