1-[3-(methanesulfonamido)propyl]-5-methyl-N-[(1R,2R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]imidazole-4-carboxamide

C19H32N4O3S — CID 58695745

IUPAC1-[3-(methanesulfonamido)propyl]-5-methyl-N-[(1R,2R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]imidazole-4-carboxamide
SMILESCc1c(C(=O)N[C@H]2C(C)(C)[C@@H]3CC[C@]2(C)C3)ncn1CCCNS(C)(=O)=O
InChIInChI=1S/C19H32N4O3S/c1-13-15(20-12-23(13)10-6-9-21-27(5,25)26)16(24)22-17-18(2,3)14-7-8-19(17,4)11-14/h12,14,17,21H,6-11H2,1-5H3,(H,22,24)/t14-,17+,19-/m1/s1
InChIKeyHYMWWLCZAYBFLL-DKSSEZFCSA-N
MW396.56 g/mol
LogP2.08
Rot. Bonds7

About 1-[3-(methanesulfonamido)propyl]-5-methyl-N-[(1R,2R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]imidazole-4-carboxamide

1-[3-(methanesulfonamido)propyl]-5-methyl-N-[(1R,2R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]imidazole-4-carboxamide (PubChem CID 58695745) has the molecular formula C19H32N4O3S and a molecular weight of 396.56 g/mol. Its IUPAC name is 1-[3-(methanesulfonamido)propyl]-5-methyl-N-[(1R,2R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-[3-(methanesulfonamido)propyl]-5-methyl-N-[(1R,2R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]imidazole-4-carboxamide
PubChem CID58695745
Molecular FormulaC19H32N4O3S
Molecular Weight396.56 g/mol
Exact Mass396.22
IUPAC Name1-[3-(methanesulfonamido)propyl]-5-methyl-N-[(1R,2R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]imidazole-4-carboxamide
SMILESCc1c(C(=O)N[C@H]2C(C)(C)[C@@H]3CC[C@]2(C)C3)ncn1CCCNS(C)(=O)=O
InChIInChI=1S/C19H32N4O3S/c1-13-15(20-12-23(13)10-6-9-21-27(5,25)26)16(24)22-17-18(2,3)14-7-8-19(17,4)11-14/h12,14,17,21H,6-11H2,1-5H3,(H,22,24)/t14-,17+,19-/m1/s1
InChIKeyHYMWWLCZAYBFLL-DKSSEZFCSA-N
XLogP2.08
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.56
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(methanesulfonamido)propyl]-5-methyl-N-[(1R,2R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]imidazole-4-carboxamide?
The IUPAC name of 1-[3-(methanesulfonamido)propyl]-5-methyl-N-[(1R,2R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]imidazole-4-carboxamide (CID 58695745) is 1-[3-(methanesulfonamido)propyl]-5-methyl-N-[(1R,2R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]imidazole-4-carboxamide.
What is the SMILES notation for 1-[3-(methanesulfonamido)propyl]-5-methyl-N-[(1R,2R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]imidazole-4-carboxamide?
The canonical SMILES for 1-[3-(methanesulfonamido)propyl]-5-methyl-N-[(1R,2R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]imidazole-4-carboxamide is Cc1c(C(=O)N[C@H]2C(C)(C)[C@@H]3CC[C@]2(C)C3)ncn1CCCNS(C)(=O)=O.
What is the InChIKey of 1-[3-(methanesulfonamido)propyl]-5-methyl-N-[(1R,2R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]imidazole-4-carboxamide?
The InChIKey is HYMWWLCZAYBFLL-DKSSEZFCSA-N. The full InChI is InChI=1S/C19H32N4O3S/c1-13-15(20-12-23(13)10-6-9-21-27(5,25)26)16(24)22-17-18(2,3)14-7-8-19(17,4)11-14/h12,14,17,21H,6-11H2,1-5H3,(H,22,24)/t14-,17+,19-/m1/s1.
What are the key properties of 1-[3-(methanesulfonamido)propyl]-5-methyl-N-[(1R,2R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]imidazole-4-carboxamide?
1-[3-(methanesulfonamido)propyl]-5-methyl-N-[(1R,2R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]imidazole-4-carboxamide has a molecular weight of 396.56 g/mol, XLogP of 2.08, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methanesulfonamido)propyl]-5-methyl-N-[(1R,2R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]imidazole-4-carboxamide is sourced from PubChem (CID 58695745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).