N-[2-[5-[(2R)-2-benzylpiperazine-1-carbonyl]-2-oxo-4-phenyl-1H-imidazol-3-yl]phenyl]butane-1-sulfonamide

C31H35N5O4S — CID 59292275

IUPACN-[2-[5-[(2R)-2-benzylpiperazine-1-carbonyl]-2-oxo-4-phenyl-1H-imidazol-3-yl]phenyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccccc1-n1c(-c2ccccc2)c(C(=O)N2CCNC[C@H]2Cc2ccccc2)[nH]c1=O
InChIInChI=1S/C31H35N5O4S/c1-2-3-20-41(39,40)34-26-16-10-11-17-27(26)36-29(24-14-8-5-9-15-24)28(33-31(36)38)30(37)35-19-18-32-22-25(35)21-23-12-6-4-7-13-23/h4-17,25,32,34H,2-3,18-22H2,1H3,(H,33,38)/t25-/m1/s1
InChIKeyREDHBKSPHDDWGC-RUZDIDTESA-N
MW573.72 g/mol
LogP4.03
Rot. Bonds10

About N-[2-[5-[(2R)-2-benzylpiperazine-1-carbonyl]-2-oxo-4-phenyl-1H-imidazol-3-yl]phenyl]butane-1-sulfonamide

N-[2-[5-[(2R)-2-benzylpiperazine-1-carbonyl]-2-oxo-4-phenyl-1H-imidazol-3-yl]phenyl]butane-1-sulfonamide (PubChem CID 59292275) has the molecular formula C31H35N5O4S and a molecular weight of 573.72 g/mol. Its IUPAC name is N-[2-[5-[(2R)-2-benzylpiperazine-1-carbonyl]-2-oxo-4-phenyl-1H-imidazol-3-yl]phenyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-[5-[(2R)-2-benzylpiperazine-1-carbonyl]-2-oxo-4-phenyl-1H-imidazol-3-yl]phenyl]butane-1-sulfonamide
PubChem CID59292275
Molecular FormulaC31H35N5O4S
Molecular Weight573.72 g/mol
Exact Mass573.24
IUPAC NameN-[2-[5-[(2R)-2-benzylpiperazine-1-carbonyl]-2-oxo-4-phenyl-1H-imidazol-3-yl]phenyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccccc1-n1c(-c2ccccc2)c(C(=O)N2CCNC[C@H]2Cc2ccccc2)[nH]c1=O
InChIInChI=1S/C31H35N5O4S/c1-2-3-20-41(39,40)34-26-16-10-11-17-27(26)36-29(24-14-8-5-9-15-24)28(33-31(36)38)30(37)35-19-18-32-22-25(35)21-23-12-6-4-7-13-23/h4-17,25,32,34H,2-3,18-22H2,1H3,(H,33,38)/t25-/m1/s1
InChIKeyREDHBKSPHDDWGC-RUZDIDTESA-N
XLogP4.03
TPSA116.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500573.72
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[(2R)-2-benzylpiperazine-1-carbonyl]-2-oxo-4-phenyl-1H-imidazol-3-yl]phenyl]butane-1-sulfonamide?
The IUPAC name of N-[2-[5-[(2R)-2-benzylpiperazine-1-carbonyl]-2-oxo-4-phenyl-1H-imidazol-3-yl]phenyl]butane-1-sulfonamide (CID 59292275) is N-[2-[5-[(2R)-2-benzylpiperazine-1-carbonyl]-2-oxo-4-phenyl-1H-imidazol-3-yl]phenyl]butane-1-sulfonamide.
What is the SMILES notation for N-[2-[5-[(2R)-2-benzylpiperazine-1-carbonyl]-2-oxo-4-phenyl-1H-imidazol-3-yl]phenyl]butane-1-sulfonamide?
The canonical SMILES for N-[2-[5-[(2R)-2-benzylpiperazine-1-carbonyl]-2-oxo-4-phenyl-1H-imidazol-3-yl]phenyl]butane-1-sulfonamide is CCCCS(=O)(=O)Nc1ccccc1-n1c(-c2ccccc2)c(C(=O)N2CCNC[C@H]2Cc2ccccc2)[nH]c1=O.
What is the InChIKey of N-[2-[5-[(2R)-2-benzylpiperazine-1-carbonyl]-2-oxo-4-phenyl-1H-imidazol-3-yl]phenyl]butane-1-sulfonamide?
The InChIKey is REDHBKSPHDDWGC-RUZDIDTESA-N. The full InChI is InChI=1S/C31H35N5O4S/c1-2-3-20-41(39,40)34-26-16-10-11-17-27(26)36-29(24-14-8-5-9-15-24)28(33-31(36)38)30(37)35-19-18-32-22-25(35)21-23-12-6-4-7-13-23/h4-17,25,32,34H,2-3,18-22H2,1H3,(H,33,38)/t25-/m1/s1.
What are the key properties of N-[2-[5-[(2R)-2-benzylpiperazine-1-carbonyl]-2-oxo-4-phenyl-1H-imidazol-3-yl]phenyl]butane-1-sulfonamide?
N-[2-[5-[(2R)-2-benzylpiperazine-1-carbonyl]-2-oxo-4-phenyl-1H-imidazol-3-yl]phenyl]butane-1-sulfonamide has a molecular weight of 573.72 g/mol, XLogP of 4.03, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[(2R)-2-benzylpiperazine-1-carbonyl]-2-oxo-4-phenyl-1H-imidazol-3-yl]phenyl]butane-1-sulfonamide is sourced from PubChem (CID 59292275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).