2-[cyclohexyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-N-[(4-fluorophenyl)methyl]butanamide

C24H29FN6O2S — CID 3190262

IUPAC2-[cyclohexyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-N-[(4-fluorophenyl)methyl]butanamide
SMILESCCC(C(=O)NCc1ccc(F)cc1)N(C(=O)Cn1nnc(-c2cccs2)n1)C1CCCCC1
InChIInChI=1S/C24H29FN6O2S/c1-2-20(24(33)26-15-17-10-12-18(25)13-11-17)31(19-7-4-3-5-8-19)22(32)16-30-28-23(27-29-30)21-9-6-14-34-21/h6,9-14,19-20H,2-5,7-8,15-16H2,1H3,(H,26,33)
InChIKeyRLLZLRZKFZLQHP-UHFFFAOYSA-N
MW484.60 g/mol
LogP3.80
Rot. Bonds9

About 2-[cyclohexyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-N-[(4-fluorophenyl)methyl]butanamide

2-[cyclohexyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-N-[(4-fluorophenyl)methyl]butanamide (PubChem CID 3190262) has the molecular formula C24H29FN6O2S and a molecular weight of 484.60 g/mol. Its IUPAC name is 2-[cyclohexyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-N-[(4-fluorophenyl)methyl]butanamide.

Molecular Properties

Compound Name2-[cyclohexyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-N-[(4-fluorophenyl)methyl]butanamide
PubChem CID3190262
Molecular FormulaC24H29FN6O2S
Molecular Weight484.60 g/mol
Exact Mass484.21
IUPAC Name2-[cyclohexyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-N-[(4-fluorophenyl)methyl]butanamide
SMILESCCC(C(=O)NCc1ccc(F)cc1)N(C(=O)Cn1nnc(-c2cccs2)n1)C1CCCCC1
InChIInChI=1S/C24H29FN6O2S/c1-2-20(24(33)26-15-17-10-12-18(25)13-11-17)31(19-7-4-3-5-8-19)22(32)16-30-28-23(27-29-30)21-9-6-14-34-21/h6,9-14,19-20H,2-5,7-8,15-16H2,1H3,(H,26,33)
InChIKeyRLLZLRZKFZLQHP-UHFFFAOYSA-N
XLogP3.80
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-benzyl-2-[cyclohexyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]butanamide
CID 3190185
(2S)-N-benzyl-2-(4-chlorophenyl)-2-[cyclopentyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]acetamide
CID 1143740
(2R)-2-[cyclopentyl-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]amino]-N-[(4-fluorophenyl)methyl]-4-methylpentanamide
CID 1144127
(2R)-N-[(4-fluorophenyl)methyl]-2-[N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]-3-(trifluoromethyl)anilino]pentanamide
CID 98097239
(2S)-2-[cyclohexyl-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]amino]-N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)acetamide
CID 1144160
(2S)-N-benzyl-2-(2-methoxy-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)butanamide
CID 1143718
(2R)-N-benzyl-2-(4-chloro-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)butanamide
CID 1143716
(2R)-N-tert-butyl-2-[cyclopentyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-2-(4-hydroxyphenyl)acetamide
CID 25306317
(2S)-N-[(4-fluorophenyl)methyl]-2-(4-hydroxyphenyl)-2-(2-methyl-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)acetamide
CID 1144152
2-(4-chloro-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)-N-[(4-fluorophenyl)methyl]-2-pyridin-4-ylacetamide
CID 23913642
N-cyclopentyl-2-(4-fluorophenyl)-2-(4-methyl-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)acetamide
CID 3190125
2-[cyclopentyl-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]amino]-N-(3-methylbutyl)propanamide
CID 650552

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-N-[(4-fluorophenyl)methyl]butanamide?
The IUPAC name of 2-[cyclohexyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-N-[(4-fluorophenyl)methyl]butanamide (CID 3190262) is 2-[cyclohexyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-N-[(4-fluorophenyl)methyl]butanamide.
What is the SMILES notation for 2-[cyclohexyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-N-[(4-fluorophenyl)methyl]butanamide?
The canonical SMILES for 2-[cyclohexyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-N-[(4-fluorophenyl)methyl]butanamide is CCC(C(=O)NCc1ccc(F)cc1)N(C(=O)Cn1nnc(-c2cccs2)n1)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-N-[(4-fluorophenyl)methyl]butanamide?
The InChIKey is RLLZLRZKFZLQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN6O2S/c1-2-20(24(33)26-15-17-10-12-18(25)13-11-17)31(19-7-4-3-5-8-19)22(32)16-30-28-23(27-29-30)21-9-6-14-34-21/h6,9-14,19-20H,2-5,7-8,15-16H2,1H3,(H,26,33).
What are the key properties of 2-[cyclohexyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-N-[(4-fluorophenyl)methyl]butanamide?
2-[cyclohexyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-N-[(4-fluorophenyl)methyl]butanamide has a molecular weight of 484.60 g/mol, XLogP of 3.80, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-N-[(4-fluorophenyl)methyl]butanamide is sourced from PubChem (CID 3190262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).