N-butan-2-yl-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-thiophen-2-ylpropanamide

C26H27FN2OS — CID 3520983

IUPACN-butan-2-yl-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-thiophen-2-ylpropanamide
SMILESCCC(C)NC(=O)CC(c1cccs1)c1cn(Cc2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C26H27FN2OS/c1-3-18(2)28-26(30)15-22(25-9-6-14-31-25)23-17-29(24-8-5-4-7-21(23)24)16-19-10-12-20(27)13-11-19/h4-14,17-18,22H,3,15-16H2,1-2H3,(H,28,30)
InChIKeyGTLMAGMPKOZRAC-UHFFFAOYSA-N
MW434.58 g/mol
LogP6.33
Rot. Bonds8

About N-butan-2-yl-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-thiophen-2-ylpropanamide

N-butan-2-yl-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-thiophen-2-ylpropanamide (PubChem CID 3520983) has the molecular formula C26H27FN2OS and a molecular weight of 434.58 g/mol. Its IUPAC name is N-butan-2-yl-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-thiophen-2-ylpropanamide
PubChem CID3520983
Molecular FormulaC26H27FN2OS
Molecular Weight434.58 g/mol
Exact Mass434.18
IUPAC NameN-butan-2-yl-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-thiophen-2-ylpropanamide
SMILESCCC(C)NC(=O)CC(c1cccs1)c1cn(Cc2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C26H27FN2OS/c1-3-18(2)28-26(30)15-22(25-9-6-14-31-25)23-17-29(24-8-5-4-7-21(23)24)16-19-10-12-20(27)13-11-19/h4-14,17-18,22H,3,15-16H2,1-2H3,(H,28,30)
InChIKeyGTLMAGMPKOZRAC-UHFFFAOYSA-N
XLogP6.33
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.58
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-(2-Methylindol-3-yl)ethyl)-2-thienylcarboxamide
CID 588963
(2S)-2-[(2S)-5-carbamimidamido-2-{[(2S)-1-[(2S)-5-carbamimidamido-2-[(2S)-3-(4-fluorophenyl)-2-[(2S)-3-(1H-indol-3-yl)-2-[2-(thiophen-2-yl)acetamido]propanamido]propanamido]pentanoyl]pyrrolidin-2-yl]formamido}pentanamido]butanediamide
CID 117072558
3-(1-benzothiophen-3-yl)-4-(1-methyl-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327663
3-(1-methyl-1H-indol-3-yl)-4-(thiophen-2-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327668
3-(1-methyl-1H-indol-3-yl)-4-[1-methyl-5-(methylsulfanyl)-1H-indol-3-yl]-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327676
3-(1-methyl-1H-indol-3-yl)-4-[1-methyl-2-(methylsulfanyl)-1H-indol-3-yl]-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327699
Maleimide derivative, 5
CID 10477747
N-(pyridin-2-ylmethyl)-2-(2-thien-2-yl-1H-indol-1-yl)acetamide
CID 46275360
1-(4-fluoro-1H-indol-3-yl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethane-1,2-dione
CID 45486592
1-(4-fluoro-1H-indol-3-yl)-2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethane-1,2-dione
CID 45486615
4-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)butanamide
CID 2525315
N-[2-(1H-indol-3-yl)ethyl]-5-methylthiophene-2-carboxamide
CID 2571989

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-thiophen-2-ylpropanamide?
The IUPAC name of N-butan-2-yl-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-thiophen-2-ylpropanamide (CID 3520983) is N-butan-2-yl-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-butan-2-yl-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-butan-2-yl-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-thiophen-2-ylpropanamide is CCC(C)NC(=O)CC(c1cccs1)c1cn(Cc2ccc(F)cc2)c2ccccc12.
What is the InChIKey of N-butan-2-yl-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-thiophen-2-ylpropanamide?
The InChIKey is GTLMAGMPKOZRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN2OS/c1-3-18(2)28-26(30)15-22(25-9-6-14-31-25)23-17-29(24-8-5-4-7-21(23)24)16-19-10-12-20(27)13-11-19/h4-14,17-18,22H,3,15-16H2,1-2H3,(H,28,30).
What are the key properties of N-butan-2-yl-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-thiophen-2-ylpropanamide?
N-butan-2-yl-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-thiophen-2-ylpropanamide has a molecular weight of 434.58 g/mol, XLogP of 6.33, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 3520983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).