N-cyclopropyl-2-(2,5-dimethyl-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide

C25H26N6O3S — CID 646271

IUPACN-cyclopropyl-2-(2,5-dimethyl-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide
SMILESCc1ccc(C)c(N(C(=O)Cn2nnc(-c3cccs3)n2)C(C(=O)NC2CC2)c2ccc(C)o2)c1
InChIInChI=1S/C25H26N6O3S/c1-15-6-7-16(2)19(13-15)31(22(32)14-30-28-24(27-29-30)21-5-4-12-35-21)23(20-11-8-17(3)34-20)25(33)26-18-9-10-18/h4-8,11-13,18,23H,9-10,14H2,1-3H3,(H,26,33)
InChIKeyYXKGLAYBCXZTOW-UHFFFAOYSA-N
MW490.59 g/mol
LogP3.97
Rot. Bonds8

About N-cyclopropyl-2-(2,5-dimethyl-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide

N-cyclopropyl-2-(2,5-dimethyl-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide (PubChem CID 646271) has the molecular formula C25H26N6O3S and a molecular weight of 490.59 g/mol. Its IUPAC name is N-cyclopropyl-2-(2,5-dimethyl-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(2,5-dimethyl-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide
PubChem CID646271
Molecular FormulaC25H26N6O3S
Molecular Weight490.59 g/mol
Exact Mass490.18
IUPAC NameN-cyclopropyl-2-(2,5-dimethyl-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide
SMILESCc1ccc(C)c(N(C(=O)Cn2nnc(-c3cccs3)n2)C(C(=O)NC2CC2)c2ccc(C)o2)c1
InChIInChI=1S/C25H26N6O3S/c1-15-6-7-16(2)19(13-15)31(22(32)14-30-28-24(27-29-30)21-5-4-12-35-21)23(20-11-8-17(3)34-20)25(33)26-18-9-10-18/h4-8,11-13,18,23H,9-10,14H2,1-3H3,(H,26,33)
InChIKeyYXKGLAYBCXZTOW-UHFFFAOYSA-N
XLogP3.97
TPSA106.15 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.59
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(2,5-dimethyl-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide?
The IUPAC name of N-cyclopropyl-2-(2,5-dimethyl-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide (CID 646271) is N-cyclopropyl-2-(2,5-dimethyl-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide.
What is the SMILES notation for N-cyclopropyl-2-(2,5-dimethyl-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide?
The canonical SMILES for N-cyclopropyl-2-(2,5-dimethyl-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide is Cc1ccc(C)c(N(C(=O)Cn2nnc(-c3cccs3)n2)C(C(=O)NC2CC2)c2ccc(C)o2)c1.
What is the InChIKey of N-cyclopropyl-2-(2,5-dimethyl-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide?
The InChIKey is YXKGLAYBCXZTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O3S/c1-15-6-7-16(2)19(13-15)31(22(32)14-30-28-24(27-29-30)21-5-4-12-35-21)23(20-11-8-17(3)34-20)25(33)26-18-9-10-18/h4-8,11-13,18,23H,9-10,14H2,1-3H3,(H,26,33).
What are the key properties of N-cyclopropyl-2-(2,5-dimethyl-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide?
N-cyclopropyl-2-(2,5-dimethyl-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide has a molecular weight of 490.59 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(2,5-dimethyl-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide is sourced from PubChem (CID 646271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).