N-(cyclopentylcarbamoyl)-2-[[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide

C22H29N3O2S — CID 42893102

IUPACN-(cyclopentylcarbamoyl)-2-[[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide
SMILESCC(C)c1ccc(C(NCC(=O)NC(=O)NC2CCCC2)c2cccs2)cc1
InChIInChI=1S/C22H29N3O2S/c1-15(2)16-9-11-17(12-10-16)21(19-8-5-13-28-19)23-14-20(26)25-22(27)24-18-6-3-4-7-18/h5,8-13,15,18,21,23H,3-4,6-7,14H2,1-2H3,(H2,24,25,26,27)
InChIKeyJGLYHWLQGPNTON-UHFFFAOYSA-N
MW399.56 g/mol
LogP4.32
Rot. Bonds7

About N-(cyclopentylcarbamoyl)-2-[[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide

N-(cyclopentylcarbamoyl)-2-[[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide (PubChem CID 42893102) has the molecular formula C22H29N3O2S and a molecular weight of 399.56 g/mol. Its IUPAC name is N-(cyclopentylcarbamoyl)-2-[[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide.

Molecular Properties

Compound NameN-(cyclopentylcarbamoyl)-2-[[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide
PubChem CID42893102
Molecular FormulaC22H29N3O2S
Molecular Weight399.56 g/mol
Exact Mass399.20
IUPAC NameN-(cyclopentylcarbamoyl)-2-[[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide
SMILESCC(C)c1ccc(C(NCC(=O)NC(=O)NC2CCCC2)c2cccs2)cc1
InChIInChI=1S/C22H29N3O2S/c1-15(2)16-9-11-17(12-10-16)21(19-8-5-13-28-19)23-14-20(26)25-22(27)24-18-6-3-4-7-18/h5,8-13,15,18,21,23H,3-4,6-7,14H2,1-2H3,(H2,24,25,26,27)
InChIKeyJGLYHWLQGPNTON-UHFFFAOYSA-N
XLogP4.32
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.56
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylcarbamoyl)-2-[[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide?
The IUPAC name of N-(cyclopentylcarbamoyl)-2-[[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide (CID 42893102) is N-(cyclopentylcarbamoyl)-2-[[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide.
What is the SMILES notation for N-(cyclopentylcarbamoyl)-2-[[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide?
The canonical SMILES for N-(cyclopentylcarbamoyl)-2-[[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide is CC(C)c1ccc(C(NCC(=O)NC(=O)NC2CCCC2)c2cccs2)cc1.
What is the InChIKey of N-(cyclopentylcarbamoyl)-2-[[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide?
The InChIKey is JGLYHWLQGPNTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2S/c1-15(2)16-9-11-17(12-10-16)21(19-8-5-13-28-19)23-14-20(26)25-22(27)24-18-6-3-4-7-18/h5,8-13,15,18,21,23H,3-4,6-7,14H2,1-2H3,(H2,24,25,26,27).
What are the key properties of N-(cyclopentylcarbamoyl)-2-[[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide?
N-(cyclopentylcarbamoyl)-2-[[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide has a molecular weight of 399.56 g/mol, XLogP of 4.32, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylcarbamoyl)-2-[[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide is sourced from PubChem (CID 42893102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).