N-benzyl-2-[cyclohexyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]butanamide

C24H30N6O2S — CID 3190185

IUPACN-benzyl-2-[cyclohexyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]butanamide
SMILESCCC(C(=O)NCc1ccccc1)N(C(=O)Cn1nnc(-c2cccs2)n1)C1CCCCC1
InChIInChI=1S/C24H30N6O2S/c1-2-20(24(32)25-16-18-10-5-3-6-11-18)30(19-12-7-4-8-13-19)22(31)17-29-27-23(26-28-29)21-14-9-15-33-21/h3,5-6,9-11,14-15,19-20H,2,4,7-8,12-13,16-17H2,1H3,(H,25,32)
InChIKeyIIKTYZZODCJUCG-UHFFFAOYSA-N
MW466.61 g/mol
LogP3.66
Rot. Bonds9

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

N-benzyl-2-[cyclohexyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]butanamide (PubChem CID 3190185) has the molecular formula C24H30N6O2S and a molecular weight of 466.61 g/mol. Its IUPAC name is N-benzyl-2-[cyclohexyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]butanamide.

Molecular Properties

Compound NameN-benzyl-2-[cyclohexyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]butanamide
PubChem CID3190185
Molecular FormulaC24H30N6O2S
Molecular Weight466.61 g/mol
Exact Mass466.22
IUPAC NameN-benzyl-2-[cyclohexyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]butanamide
SMILESCCC(C(=O)NCc1ccccc1)N(C(=O)Cn1nnc(-c2cccs2)n1)C1CCCCC1
InChIInChI=1S/C24H30N6O2S/c1-2-20(24(32)25-16-18-10-5-3-6-11-18)30(19-12-7-4-8-13-19)22(31)17-29-27-23(26-28-29)21-14-9-15-33-21/h3,5-6,9-11,14-15,19-20H,2,4,7-8,12-13,16-17H2,1H3,(H,25,32)
InChIKeyIIKTYZZODCJUCG-UHFFFAOYSA-N
XLogP3.66
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.61
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[cyclohexyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-N-[(4-fluorophenyl)methyl]butanamide
CID 3190262
(2S)-N-benzyl-2-(4-chlorophenyl)-2-[cyclopentyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]acetamide
CID 1143740
(2R)-N-benzyl-2-(4-chloro-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)butanamide
CID 1143716
(2S)-N-benzyl-2-(2-methoxy-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)butanamide
CID 1143718
(2R)-N-tert-butyl-2-[cyclopentyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-2-(4-hydroxyphenyl)acetamide
CID 25306317
(2R)-2-[cyclopentyl-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]amino]-N-[(4-fluorophenyl)methyl]-4-methylpentanamide
CID 1144127
N-benzyl-2-(4-hydroxyphenyl)-2-[N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]-2-(trifluoromethyl)anilino]acetamide
CID 3190200
(2S)-2-[cyclohexyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylbutanamide
CID 40620777
2-[cyclopropyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]acetic acid
CID 60827025
N-cyclopentyl-2-[cyclopentyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]butanamide
CID 3600221
2-[1,3-benzodioxol-5-yl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-N-benzyl-2-(4-hydroxyphenyl)acetamide
CID 3232562
(2R)-N-[(4-fluorophenyl)methyl]-2-[N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]-3-(trifluoromethyl)anilino]pentanamide
CID 98097239

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[cyclohexyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]butanamide?
The IUPAC name of N-benzyl-2-[cyclohexyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]butanamide (CID 3190185) is N-benzyl-2-[cyclohexyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]butanamide.
What is the SMILES notation for N-benzyl-2-[cyclohexyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]butanamide?
The canonical SMILES for N-benzyl-2-[cyclohexyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]butanamide is CCC(C(=O)NCc1ccccc1)N(C(=O)Cn1nnc(-c2cccs2)n1)C1CCCCC1.
What is the InChIKey of N-benzyl-2-[cyclohexyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]butanamide?
The InChIKey is IIKTYZZODCJUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O2S/c1-2-20(24(32)25-16-18-10-5-3-6-11-18)30(19-12-7-4-8-13-19)22(31)17-29-27-23(26-28-29)21-14-9-15-33-21/h3,5-6,9-11,14-15,19-20H,2,4,7-8,12-13,16-17H2,1H3,(H,25,32).
What are the key properties of N-benzyl-2-[cyclohexyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]butanamide?
N-benzyl-2-[cyclohexyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]butanamide has a molecular weight of 466.61 g/mol, XLogP of 3.66, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[cyclohexyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]butanamide is sourced from PubChem (CID 3190185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).