N-benzyl-2-[(3S)-6-[bis(methylsulfonyl)amino]-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(1-cyclopropylethyl)acetamide

About N-benzyl-2-[(3S)-6-[bis(methylsulfonyl)amino]-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(1-cyclopropylethyl)acetamide

N-benzyl-2-[(3S)-6-[bis(methylsulfonyl)amino]-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(1-cyclopropylethyl)acetamide (PubChem CID 145048809) has the molecular formula C27H32N4O7S2 and a molecular weight of 588.71 g/mol. Its IUPAC name is N-benzyl-2-[(3S)-6-[bis(methylsulfonyl)amino]-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(1-cyclopropylethyl)acetamide.

Molecular Properties

Compound Name	N-benzyl-2-[(3S)-6-[bis(methylsulfonyl)amino]-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(1-cyclopropylethyl)acetamide
PubChem CID	145048809
Molecular Formula	C27H32N4O7S2
Molecular Weight	588.71 g/mol
Exact Mass	588.17
IUPAC Name	N-benzyl-2-[(3S)-6-[bis(methylsulfonyl)amino]-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(1-cyclopropylethyl)acetamide
SMILES	CC(C1CC1)N(Cc1ccccc1)C(=O)CN1C(=O)N[C@]2(CCc3cc(N(S(C)(=O)=O)S(C)(=O)=O)ccc32)C1=O
InChI	InChI=1S/C27H32N4O7S2/c1-18(20-9-10-20)29(16-19-7-5-4-6-8-19)24(32)17-30-25(33)27(28-26(30)34)14-13-21-15-22(11-12-23(21)27)31(39(2,35)36)40(3,37)38/h4-8,11-12,15,18,20H,9-10,13-14,16-17H2,1-3H3,(H,28,34)/t18?,27-/m0/s1
InChIKey	FOJDWARSFFBMAL-UEEDVJNSSA-N
XLogP	1.93
TPSA	141.24 Å²
H-Bond Donors	1
H-Bond Acceptors	7
Rotatable Bonds	9
Heavy Atoms	40
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	588.71
LogP ≤ 5	1.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(3S)-6-[bis(methylsulfonyl)amino]-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(1-cyclopropylethyl)acetamide?

The IUPAC name of N-benzyl-2-[(3S)-6-[bis(methylsulfonyl)amino]-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(1-cyclopropylethyl)acetamide (CID 145048809) is N-benzyl-2-[(3S)-6-[bis(methylsulfonyl)amino]-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(1-cyclopropylethyl)acetamide.

What is the SMILES notation for N-benzyl-2-[(3S)-6-[bis(methylsulfonyl)amino]-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(1-cyclopropylethyl)acetamide?

The canonical SMILES for N-benzyl-2-[(3S)-6-[bis(methylsulfonyl)amino]-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(1-cyclopropylethyl)acetamide is CC(C1CC1)N(Cc1ccccc1)C(=O)CN1C(=O)N[C@]2(CCc3cc(N(S(C)(=O)=O)S(C)(=O)=O)ccc32)C1=O.

What is the InChIKey of N-benzyl-2-[(3S)-6-[bis(methylsulfonyl)amino]-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(1-cyclopropylethyl)acetamide?

The InChIKey is FOJDWARSFFBMAL-UEEDVJNSSA-N. The full InChI is InChI=1S/C27H32N4O7S2/c1-18(20-9-10-20)29(16-19-7-5-4-6-8-19)24(32)17-30-25(33)27(28-26(30)34)14-13-21-15-22(11-12-23(21)27)31(39(2,35)36)40(3,37)38/h4-8,11-12,15,18,20H,9-10,13-14,16-17H2,1-3H3,(H,28,34)/t18?,27-/m0/s1.

What are the key properties of N-benzyl-2-[(3S)-6-[bis(methylsulfonyl)amino]-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(1-cyclopropylethyl)acetamide?

N-benzyl-2-[(3S)-6-[bis(methylsulfonyl)amino]-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(1-cyclopropylethyl)acetamide has a molecular weight of 588.71 g/mol, XLogP of 1.93, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-2-[(3S)-6-[bis(methylsulfonyl)amino]-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(1-cyclopropylethyl)acetamide is sourced from PubChem (CID 145048809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).