cyclopentyl N-[(2S)-1-[(5S)-3-benzyl-5-[[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]carbamoyl]imidazolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate

About cyclopentyl N-[(2S)-1-[(5S)-3-benzyl-5-[[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]carbamoyl]imidazolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate

cyclopentyl N-[(2S)-1-[(5S)-3-benzyl-5-[[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]carbamoyl]imidazolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate (PubChem CID 53236213) has the molecular formula C32H45N5O7S and a molecular weight of 643.81 g/mol. Its IUPAC name is cyclopentyl N-[(2S)-1-[(5S)-3-benzyl-5-[[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]carbamoyl]imidazolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Name	cyclopentyl N-[(2S)-1-[(5S)-3-benzyl-5-[[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]carbamoyl]imidazolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
PubChem CID	53236213
Molecular Formula	C32H45N5O7S
Molecular Weight	643.81 g/mol
Exact Mass	643.30
IUPAC Name	cyclopentyl N-[(2S)-1-[(5S)-3-benzyl-5-[[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]carbamoyl]imidazolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
SMILES	C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1CN(Cc2ccccc2)CN1C(=O)[C@@H](NC(=O)OC1CCCC1)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1
InChI	InChI=1S/C32H45N5O7S/c1-5-22-17-32(22,29(40)35-45(42,43)24-15-16-24)34-27(38)25-19-36(18-21-11-7-6-8-12-21)20-37(25)28(39)26(31(2,3)4)33-30(41)44-23-13-9-10-14-23/h5-8,11-12,22-26H,1,9-10,13-20H2,2-4H3,(H,33,41)(H,34,38)(H,35,40)/t22-,25+,26-,32-/m1/s1
InChIKey	RGJOQGALJBINCG-OZTFVONUSA-N
XLogP	2.41
TPSA	154.22 Å²
H-Bond Donors	3
H-Bond Acceptors	8
Rotatable Bonds	11
Heavy Atoms	45
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	643.81
LogP ≤ 5	2.41
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of cyclopentyl N-[(2S)-1-[(5S)-3-benzyl-5-[[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]carbamoyl]imidazolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate?

The IUPAC name of cyclopentyl N-[(2S)-1-[(5S)-3-benzyl-5-[[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]carbamoyl]imidazolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate (CID 53236213) is cyclopentyl N-[(2S)-1-[(5S)-3-benzyl-5-[[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]carbamoyl]imidazolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate.

What is the SMILES notation for cyclopentyl N-[(2S)-1-[(5S)-3-benzyl-5-[[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]carbamoyl]imidazolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate?

The canonical SMILES for cyclopentyl N-[(2S)-1-[(5S)-3-benzyl-5-[[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]carbamoyl]imidazolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate is C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1CN(Cc2ccccc2)CN1C(=O)[C@@H](NC(=O)OC1CCCC1)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1.

What is the InChIKey of cyclopentyl N-[(2S)-1-[(5S)-3-benzyl-5-[[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]carbamoyl]imidazolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate?

The InChIKey is RGJOQGALJBINCG-OZTFVONUSA-N. The full InChI is InChI=1S/C32H45N5O7S/c1-5-22-17-32(22,29(40)35-45(42,43)24-15-16-24)34-27(38)25-19-36(18-21-11-7-6-8-12-21)20-37(25)28(39)26(31(2,3)4)33-30(41)44-23-13-9-10-14-23/h5-8,11-12,22-26H,1,9-10,13-20H2,2-4H3,(H,33,41)(H,34,38)(H,35,40)/t22-,25+,26-,32-/m1/s1.

What are the key properties of cyclopentyl N-[(2S)-1-[(5S)-3-benzyl-5-[[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]carbamoyl]imidazolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate?

cyclopentyl N-[(2S)-1-[(5S)-3-benzyl-5-[[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]carbamoyl]imidazolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate has a molecular weight of 643.81 g/mol, XLogP of 2.41, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopentyl N-[(2S)-1-[(5S)-3-benzyl-5-[[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]carbamoyl]imidazolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 53236213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).