N-cyclopentyl-2-(4-fluorophenyl)-2-[[2-(1H-indol-3-yl)acetyl]-(thiophen-2-ylmethyl)amino]acetamide

C28H28FN3O2S — CID 3201979

IUPACN-cyclopentyl-2-(4-fluorophenyl)-2-[[2-(1H-indol-3-yl)acetyl]-(thiophen-2-ylmethyl)amino]acetamide
SMILESO=C(NC1CCCC1)C(c1ccc(F)cc1)N(Cc1cccs1)C(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C28H28FN3O2S/c29-21-13-11-19(12-14-21)27(28(34)31-22-6-1-2-7-22)32(18-23-8-5-15-35-23)26(33)16-20-17-30-25-10-4-3-9-24(20)25/h3-5,8-15,17,22,27,30H,1-2,6-7,16,18H2,(H,31,34)
InChIKeyVLRSPDPNKOPDJZ-UHFFFAOYSA-N
MW489.62 g/mol
LogP5.74
Rot. Bonds8

About N-cyclopentyl-2-(4-fluorophenyl)-2-[[2-(1H-indol-3-yl)acetyl]-(thiophen-2-ylmethyl)amino]acetamide

N-cyclopentyl-2-(4-fluorophenyl)-2-[[2-(1H-indol-3-yl)acetyl]-(thiophen-2-ylmethyl)amino]acetamide (PubChem CID 3201979) has the molecular formula C28H28FN3O2S and a molecular weight of 489.62 g/mol. Its IUPAC name is N-cyclopentyl-2-(4-fluorophenyl)-2-[[2-(1H-indol-3-yl)acetyl]-(thiophen-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(4-fluorophenyl)-2-[[2-(1H-indol-3-yl)acetyl]-(thiophen-2-ylmethyl)amino]acetamide
PubChem CID3201979
Molecular FormulaC28H28FN3O2S
Molecular Weight489.62 g/mol
Exact Mass489.19
IUPAC NameN-cyclopentyl-2-(4-fluorophenyl)-2-[[2-(1H-indol-3-yl)acetyl]-(thiophen-2-ylmethyl)amino]acetamide
SMILESO=C(NC1CCCC1)C(c1ccc(F)cc1)N(Cc1cccs1)C(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C28H28FN3O2S/c29-21-13-11-19(12-14-21)27(28(34)31-22-6-1-2-7-22)32(18-23-8-5-15-35-23)26(33)16-20-17-30-25-10-4-3-9-24(20)25/h3-5,8-15,17,22,27,30H,1-2,6-7,16,18H2,(H,31,34)
InChIKeyVLRSPDPNKOPDJZ-UHFFFAOYSA-N
XLogP5.74
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.62
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-cyclohexyl-2-[4-(dimethylamino)phenyl]-2-[[2-(1H-indol-3-yl)acetyl]-(thiophen-2-ylmethyl)amino]acetamide
CID 25309081
N-cyclohexyl-2-(3,4-dimethoxyphenyl)-2-[[2-(1H-indol-3-yl)acetyl]-(thiophen-2-ylmethyl)amino]acetamide
CID 3190776
(2R)-N-cyclohexyl-2-[[2-(1H-indol-3-yl)acetyl]-(thiophen-2-ylmethyl)amino]-2-(3-methoxyphenyl)acetamide
CID 25309037
(2R)-N-cyclohexyl-2-(4-fluorophenyl)-2-[furan-2-ylmethyl-[2-(1H-indol-3-yl)acetyl]amino]acetamide
CID 1432663
2-[1,3-benzodioxol-5-ylmethyl-[2-(1H-indol-3-yl)acetyl]amino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide
CID 3190751
(2R)-N-cyclohexyl-2-(4-fluorophenyl)-2-[[2-(1H-indol-3-yl)acetyl]-[(2-methoxyphenyl)methyl]amino]acetamide
CID 25308956
N-cyclohexyl-2-(4-fluorophenyl)-2-[[2-(1H-indol-3-yl)acetyl]-[(4-methoxyphenyl)methyl]amino]acetamide
CID 3190749
(2S)-N-cyclohexyl-2-(4-fluoro-N-[2-(1H-indol-3-yl)acetyl]anilino)-2-thiophen-2-ylacetamide
CID 1430249
N-[(1S)-2-(cyclohexylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]-3-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 98099116
N-cyclopentyl-2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-(4-methylphenyl)acetamide
CID 3202892
(2R)-2-(4-chlorophenyl)-N-cyclohexyl-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]acetamide
CID 1441603
N-cyclohexyl-2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-pyridin-4-ylacetamide
CID 3191118

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(4-fluorophenyl)-2-[[2-(1H-indol-3-yl)acetyl]-(thiophen-2-ylmethyl)amino]acetamide?
The IUPAC name of N-cyclopentyl-2-(4-fluorophenyl)-2-[[2-(1H-indol-3-yl)acetyl]-(thiophen-2-ylmethyl)amino]acetamide (CID 3201979) is N-cyclopentyl-2-(4-fluorophenyl)-2-[[2-(1H-indol-3-yl)acetyl]-(thiophen-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-cyclopentyl-2-(4-fluorophenyl)-2-[[2-(1H-indol-3-yl)acetyl]-(thiophen-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-cyclopentyl-2-(4-fluorophenyl)-2-[[2-(1H-indol-3-yl)acetyl]-(thiophen-2-ylmethyl)amino]acetamide is O=C(NC1CCCC1)C(c1ccc(F)cc1)N(Cc1cccs1)C(=O)Cc1c[nH]c2ccccc12.
What is the InChIKey of N-cyclopentyl-2-(4-fluorophenyl)-2-[[2-(1H-indol-3-yl)acetyl]-(thiophen-2-ylmethyl)amino]acetamide?
The InChIKey is VLRSPDPNKOPDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28FN3O2S/c29-21-13-11-19(12-14-21)27(28(34)31-22-6-1-2-7-22)32(18-23-8-5-15-35-23)26(33)16-20-17-30-25-10-4-3-9-24(20)25/h3-5,8-15,17,22,27,30H,1-2,6-7,16,18H2,(H,31,34).
What are the key properties of N-cyclopentyl-2-(4-fluorophenyl)-2-[[2-(1H-indol-3-yl)acetyl]-(thiophen-2-ylmethyl)amino]acetamide?
N-cyclopentyl-2-(4-fluorophenyl)-2-[[2-(1H-indol-3-yl)acetyl]-(thiophen-2-ylmethyl)amino]acetamide has a molecular weight of 489.62 g/mol, XLogP of 5.74, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(4-fluorophenyl)-2-[[2-(1H-indol-3-yl)acetyl]-(thiophen-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 3201979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).