N-cyclohexyl-2-[[2-(2,5-dioxoimidazolidin-4-yl)acetyl]-(thiophen-2-ylmethyl)amino]-2-methylbutanamide

C21H30N4O4S — CID 4234389

IUPACN-cyclohexyl-2-[[2-(2,5-dioxoimidazolidin-4-yl)acetyl]-(thiophen-2-ylmethyl)amino]-2-methylbutanamide
SMILESCCC(C)(C(=O)NC1CCCCC1)N(Cc1cccs1)C(=O)CC1NC(=O)NC1=O
InChIInChI=1S/C21H30N4O4S/c1-3-21(2,19(28)22-14-8-5-4-6-9-14)25(13-15-10-7-11-30-15)17(26)12-16-18(27)24-20(29)23-16/h7,10-11,14,16H,3-6,8-9,12-13H2,1-2H3,(H,22,28)(H2,23,24,27,29)
InChIKeyIVBVVOVYPYPZNZ-UHFFFAOYSA-N
MW434.56 g/mol
LogP2.29
Rot. Bonds8

About N-cyclohexyl-2-[[2-(2,5-dioxoimidazolidin-4-yl)acetyl]-(thiophen-2-ylmethyl)amino]-2-methylbutanamide

N-cyclohexyl-2-[[2-(2,5-dioxoimidazolidin-4-yl)acetyl]-(thiophen-2-ylmethyl)amino]-2-methylbutanamide (PubChem CID 4234389) has the molecular formula C21H30N4O4S and a molecular weight of 434.56 g/mol. Its IUPAC name is N-cyclohexyl-2-[[2-(2,5-dioxoimidazolidin-4-yl)acetyl]-(thiophen-2-ylmethyl)amino]-2-methylbutanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[[2-(2,5-dioxoimidazolidin-4-yl)acetyl]-(thiophen-2-ylmethyl)amino]-2-methylbutanamide
PubChem CID4234389
Molecular FormulaC21H30N4O4S
Molecular Weight434.56 g/mol
Exact Mass434.20
IUPAC NameN-cyclohexyl-2-[[2-(2,5-dioxoimidazolidin-4-yl)acetyl]-(thiophen-2-ylmethyl)amino]-2-methylbutanamide
SMILESCCC(C)(C(=O)NC1CCCCC1)N(Cc1cccs1)C(=O)CC1NC(=O)NC1=O
InChIInChI=1S/C21H30N4O4S/c1-3-21(2,19(28)22-14-8-5-4-6-9-14)25(13-15-10-7-11-30-15)17(26)12-16-18(27)24-20(29)23-16/h7,10-11,14,16H,3-6,8-9,12-13H2,1-2H3,(H,22,28)(H2,23,24,27,29)
InChIKeyIVBVVOVYPYPZNZ-UHFFFAOYSA-N
XLogP2.29
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.56
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[[2-(2,5-dioxoimidazolidin-4-yl)acetyl]-(thiophen-2-ylmethyl)amino]-2-methylbutanamide?
The IUPAC name of N-cyclohexyl-2-[[2-(2,5-dioxoimidazolidin-4-yl)acetyl]-(thiophen-2-ylmethyl)amino]-2-methylbutanamide (CID 4234389) is N-cyclohexyl-2-[[2-(2,5-dioxoimidazolidin-4-yl)acetyl]-(thiophen-2-ylmethyl)amino]-2-methylbutanamide.
What is the SMILES notation for N-cyclohexyl-2-[[2-(2,5-dioxoimidazolidin-4-yl)acetyl]-(thiophen-2-ylmethyl)amino]-2-methylbutanamide?
The canonical SMILES for N-cyclohexyl-2-[[2-(2,5-dioxoimidazolidin-4-yl)acetyl]-(thiophen-2-ylmethyl)amino]-2-methylbutanamide is CCC(C)(C(=O)NC1CCCCC1)N(Cc1cccs1)C(=O)CC1NC(=O)NC1=O.
What is the InChIKey of N-cyclohexyl-2-[[2-(2,5-dioxoimidazolidin-4-yl)acetyl]-(thiophen-2-ylmethyl)amino]-2-methylbutanamide?
The InChIKey is IVBVVOVYPYPZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O4S/c1-3-21(2,19(28)22-14-8-5-4-6-9-14)25(13-15-10-7-11-30-15)17(26)12-16-18(27)24-20(29)23-16/h7,10-11,14,16H,3-6,8-9,12-13H2,1-2H3,(H,22,28)(H2,23,24,27,29).
What are the key properties of N-cyclohexyl-2-[[2-(2,5-dioxoimidazolidin-4-yl)acetyl]-(thiophen-2-ylmethyl)amino]-2-methylbutanamide?
N-cyclohexyl-2-[[2-(2,5-dioxoimidazolidin-4-yl)acetyl]-(thiophen-2-ylmethyl)amino]-2-methylbutanamide has a molecular weight of 434.56 g/mol, XLogP of 2.29, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[[2-(2,5-dioxoimidazolidin-4-yl)acetyl]-(thiophen-2-ylmethyl)amino]-2-methylbutanamide is sourced from PubChem (CID 4234389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).