N-tert-butyl-4-methyl-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]pentanamide

C23H32N6O3S — CID 3178805

IUPACN-tert-butyl-4-methyl-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]pentanamide
SMILESCc1ccc(-c2nnn(CC(=O)N(Cc3cccs3)C(CC(C)C)C(=O)NC(C)(C)C)n2)o1
InChIInChI=1S/C23H32N6O3S/c1-15(2)12-18(22(31)24-23(4,5)6)28(13-17-8-7-11-33-17)20(30)14-29-26-21(25-27-29)19-10-9-16(3)32-19/h7-11,15,18H,12-14H2,1-6H3,(H,24,31)
InChIKeyURDCBPXEHXOLBX-UHFFFAOYSA-N
MW472.62 g/mol
LogP3.66
Rot. Bonds9

About N-tert-butyl-4-methyl-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]pentanamide

N-tert-butyl-4-methyl-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]pentanamide (PubChem CID 3178805) has the molecular formula C23H32N6O3S and a molecular weight of 472.62 g/mol. Its IUPAC name is N-tert-butyl-4-methyl-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]pentanamide.

Molecular Properties

Compound NameN-tert-butyl-4-methyl-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]pentanamide
PubChem CID3178805
Molecular FormulaC23H32N6O3S
Molecular Weight472.62 g/mol
Exact Mass472.23
IUPAC NameN-tert-butyl-4-methyl-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]pentanamide
SMILESCc1ccc(-c2nnn(CC(=O)N(Cc3cccs3)C(CC(C)C)C(=O)NC(C)(C)C)n2)o1
InChIInChI=1S/C23H32N6O3S/c1-15(2)12-18(22(31)24-23(4,5)6)28(13-17-8-7-11-33-17)20(30)14-29-26-21(25-27-29)19-10-9-16(3)32-19/h7-11,15,18H,12-14H2,1-6H3,(H,24,31)
InChIKeyURDCBPXEHXOLBX-UHFFFAOYSA-N
XLogP3.66
TPSA106.15 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.62
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(2R)-N-tert-butyl-2-(4-hydroxyphenyl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]acetamide
CID 25310586
N-tert-butyl-4-methyl-2-(N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)pentanamide
CID 3178809
N-tert-butyl-2-[2-(diethylamino)ethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-thiophen-2-ylacetamide
CID 3174667
(2R)-N-tert-butyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]-2-(5-methylfuran-2-yl)acetamide
CID 98088127
(2S)-N-tert-butyl-2-[(2-chlorophenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-thiophen-2-ylacetamide
CID 25459427
(2R)-N-tert-butyl-2-[(2-fluorophenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-thiophen-2-ylacetamide
CID 25311366
N-tert-butyl-2-[furan-2-ylmethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]pentanamide
CID 3178752
N-tert-butyl-2-(2-methyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide
CID 3179196
(2S)-N-cyclopentyl-2-[furan-2-ylmethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-4-methylpentanamide
CID 25446537
N-tert-butyl-2-(4-ethoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide
CID 3179227
2-[benzyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-N-tert-butyl-2-(5-methylfuran-2-yl)acetamide
CID 3190087
N-tert-butyl-2-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]-2-thiophen-2-ylacetamide
CID 3179190

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-methyl-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]pentanamide?
The IUPAC name of N-tert-butyl-4-methyl-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]pentanamide (CID 3178805) is N-tert-butyl-4-methyl-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]pentanamide.
What is the SMILES notation for N-tert-butyl-4-methyl-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]pentanamide?
The canonical SMILES for N-tert-butyl-4-methyl-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]pentanamide is Cc1ccc(-c2nnn(CC(=O)N(Cc3cccs3)C(CC(C)C)C(=O)NC(C)(C)C)n2)o1.
What is the InChIKey of N-tert-butyl-4-methyl-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]pentanamide?
The InChIKey is URDCBPXEHXOLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6O3S/c1-15(2)12-18(22(31)24-23(4,5)6)28(13-17-8-7-11-33-17)20(30)14-29-26-21(25-27-29)19-10-9-16(3)32-19/h7-11,15,18H,12-14H2,1-6H3,(H,24,31).
What are the key properties of N-tert-butyl-4-methyl-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]pentanamide?
N-tert-butyl-4-methyl-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]pentanamide has a molecular weight of 472.62 g/mol, XLogP of 3.66, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-methyl-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]pentanamide is sourced from PubChem (CID 3178805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).