N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide

C23H22ClNO3S2 — CID 55798758

IUPACN-[(4-chlorophenyl)-thiophen-2-ylmethyl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccc2c(c1)CCC2)NC(c1ccc(Cl)cc1)c1cccs1
InChIInChI=1S/C23H22ClNO3S2/c24-19-9-6-17(7-10-19)23(21-5-2-13-29-21)25-22(26)12-14-30(27,28)20-11-8-16-3-1-4-18(16)15-20/h2,5-11,13,15,23H,1,3-4,12,14H2,(H,25,26)
InChIKeyCFQOXECFUUPISY-UHFFFAOYSA-N
MW460.02 g/mol
LogP4.96
Rot. Bonds7

About N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide

N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide (PubChem CID 55798758) has the molecular formula C23H22ClNO3S2 and a molecular weight of 460.02 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-thiophen-2-ylmethyl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide
PubChem CID55798758
Molecular FormulaC23H22ClNO3S2
Molecular Weight460.02 g/mol
Exact Mass459.07
IUPAC NameN-[(4-chlorophenyl)-thiophen-2-ylmethyl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccc2c(c1)CCC2)NC(c1ccc(Cl)cc1)c1cccs1
InChIInChI=1S/C23H22ClNO3S2/c24-19-9-6-17(7-10-19)23(21-5-2-13-29-21)25-22(26)12-14-30(27,28)20-11-8-16-3-1-4-18(16)15-20/h2,5-11,13,15,23H,1,3-4,12,14H2,(H,25,26)
InChIKeyCFQOXECFUUPISY-UHFFFAOYSA-N
XLogP4.96
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.02
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide
CID 60553773
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]propanamide
CID 43022566
4-amino-N-[(4-chlorophenyl)-thiophen-2-ylmethyl]butanamide
CID 119296390
3-(2,5-dioxopyrrolidin-1-yl)-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]propanamide
CID 55453255
N-[(2S)-1-aminopropan-2-yl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide
CID 120507153
3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]propanamide
CID 24553076
N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 122132392
1-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propan-1-one
CID 112836004
methyl 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanoate
CID 43330679
N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 25357824
3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]propanamide
CID 86951195
ethyl 4-[[(R)-(4-chlorophenyl)-thiophen-2-ylmethyl]amino]-4-oxobutanoate
CID 51954482

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide?
The IUPAC name of N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide (CID 55798758) is N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide.
What is the SMILES notation for N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide?
The canonical SMILES for N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide is O=C(CCS(=O)(=O)c1ccc2c(c1)CCC2)NC(c1ccc(Cl)cc1)c1cccs1.
What is the InChIKey of N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide?
The InChIKey is CFQOXECFUUPISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClNO3S2/c24-19-9-6-17(7-10-19)23(21-5-2-13-29-21)25-22(26)12-14-30(27,28)20-11-8-16-3-1-4-18(16)15-20/h2,5-11,13,15,23H,1,3-4,12,14H2,(H,25,26).
What are the key properties of N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide?
N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide has a molecular weight of 460.02 g/mol, XLogP of 4.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide is sourced from PubChem (CID 55798758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).