4-[[1-[(2-methylpyrazol-3-yl)sulfonylamino]cyclopropanecarbonyl]amino]adamantane-1-carboxamide

C19H27N5O4S — CID 118035085

IUPAC4-[[1-[(2-methylpyrazol-3-yl)sulfonylamino]cyclopropanecarbonyl]amino]adamantane-1-carboxamide
SMILESCn1nccc1S(=O)(=O)NC1(C(=O)NC2C3CC4CC2CC(C(N)=O)(C4)C3)CC1
InChIInChI=1S/C19H27N5O4S/c1-24-14(2-5-21-24)29(27,28)23-19(3-4-19)17(26)22-15-12-6-11-7-13(15)10-18(8-11,9-12)16(20)25/h2,5,11-13,15,23H,3-4,6-10H2,1H3,(H2,20,25)(H,22,26)
InChIKeyRQXAHDYMXQMHDR-UHFFFAOYSA-N
MW421.52 g/mol
LogP0.03
Rot. Bonds6

About 4-[[1-[(2-methylpyrazol-3-yl)sulfonylamino]cyclopropanecarbonyl]amino]adamantane-1-carboxamide

4-[[1-[(2-methylpyrazol-3-yl)sulfonylamino]cyclopropanecarbonyl]amino]adamantane-1-carboxamide (PubChem CID 118035085) has the molecular formula C19H27N5O4S and a molecular weight of 421.52 g/mol. Its IUPAC name is 4-[[1-[(2-methylpyrazol-3-yl)sulfonylamino]cyclopropanecarbonyl]amino]adamantane-1-carboxamide.

Molecular Properties

Compound Name4-[[1-[(2-methylpyrazol-3-yl)sulfonylamino]cyclopropanecarbonyl]amino]adamantane-1-carboxamide
PubChem CID118035085
Molecular FormulaC19H27N5O4S
Molecular Weight421.52 g/mol
Exact Mass421.18
IUPAC Name4-[[1-[(2-methylpyrazol-3-yl)sulfonylamino]cyclopropanecarbonyl]amino]adamantane-1-carboxamide
SMILESCn1nccc1S(=O)(=O)NC1(C(=O)NC2C3CC4CC2CC(C(N)=O)(C4)C3)CC1
InChIInChI=1S/C19H27N5O4S/c1-24-14(2-5-21-24)29(27,28)23-19(3-4-19)17(26)22-15-12-6-11-7-13(15)10-18(8-11,9-12)16(20)25/h2,5,11-13,15,23H,3-4,6-10H2,1H3,(H2,20,25)(H,22,26)
InChIKeyRQXAHDYMXQMHDR-UHFFFAOYSA-N
XLogP0.03
TPSA136.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-[(2-methylpyrazol-3-yl)sulfonylamino]cyclopropanecarbonyl]amino]adamantane-1-carboxamide?
The IUPAC name of 4-[[1-[(2-methylpyrazol-3-yl)sulfonylamino]cyclopropanecarbonyl]amino]adamantane-1-carboxamide (CID 118035085) is 4-[[1-[(2-methylpyrazol-3-yl)sulfonylamino]cyclopropanecarbonyl]amino]adamantane-1-carboxamide.
What is the SMILES notation for 4-[[1-[(2-methylpyrazol-3-yl)sulfonylamino]cyclopropanecarbonyl]amino]adamantane-1-carboxamide?
The canonical SMILES for 4-[[1-[(2-methylpyrazol-3-yl)sulfonylamino]cyclopropanecarbonyl]amino]adamantane-1-carboxamide is Cn1nccc1S(=O)(=O)NC1(C(=O)NC2C3CC4CC2CC(C(N)=O)(C4)C3)CC1.
What is the InChIKey of 4-[[1-[(2-methylpyrazol-3-yl)sulfonylamino]cyclopropanecarbonyl]amino]adamantane-1-carboxamide?
The InChIKey is RQXAHDYMXQMHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O4S/c1-24-14(2-5-21-24)29(27,28)23-19(3-4-19)17(26)22-15-12-6-11-7-13(15)10-18(8-11,9-12)16(20)25/h2,5,11-13,15,23H,3-4,6-10H2,1H3,(H2,20,25)(H,22,26).
What are the key properties of 4-[[1-[(2-methylpyrazol-3-yl)sulfonylamino]cyclopropanecarbonyl]amino]adamantane-1-carboxamide?
4-[[1-[(2-methylpyrazol-3-yl)sulfonylamino]cyclopropanecarbonyl]amino]adamantane-1-carboxamide has a molecular weight of 421.52 g/mol, XLogP of 0.03, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[(2-methylpyrazol-3-yl)sulfonylamino]cyclopropanecarbonyl]amino]adamantane-1-carboxamide is sourced from PubChem (CID 118035085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).