N-cycloheptyl-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide

C16H25N3O4S — CID 18107883

IUPACN-cycloheptyl-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
SMILESO=C(NC1CCCCCC1)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1
InChIInChI=1S/C16H25N3O4S/c20-16(18-13-5-3-1-2-4-6-13)15-11-14(12-17-15)24(21,22)19-7-9-23-10-8-19/h11-13,17H,1-10H2,(H,18,20)
InChIKeyMUSQGVYQGRXJRQ-UHFFFAOYSA-N
MW355.46 g/mol
LogP1.49
Rot. Bonds4

About N-cycloheptyl-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide

N-cycloheptyl-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide (PubChem CID 18107883) has the molecular formula C16H25N3O4S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-cycloheptyl-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
PubChem CID18107883
Molecular FormulaC16H25N3O4S
Molecular Weight355.46 g/mol
Exact Mass355.16
IUPAC NameN-cycloheptyl-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
SMILESO=C(NC1CCCCCC1)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1
InChIInChI=1S/C16H25N3O4S/c20-16(18-13-5-3-1-2-4-6-13)15-11-14(12-17-15)24(21,22)19-7-9-23-10-8-19/h11-13,17H,1-10H2,(H,18,20)
InChIKeyMUSQGVYQGRXJRQ-UHFFFAOYSA-N
XLogP1.49
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 18108637
4-morpholin-4-ylsulfonyl-N-propyl-1H-pyrrole-2-carboxamide
CID 18104892
N-cycloheptyl-4-morpholin-4-ylsulfonylthiophene-2-carboxamide
CID 6503522
4-morpholin-4-ylsulfonyl-N-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]-1H-pyrrole-2-carboxamide
CID 97018501
N-cyclohexyl-5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylbenzamide
CID 4825496
4-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 34298858
N-(4-ethylphenyl)-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 18106133
[1-(cyclopentylamino)-1-oxopropan-2-yl] 4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxylate
CID 18092471
N-cycloheptyl-2-(4-fluorophenyl)sulfanyl-5-morpholin-4-ylsulfonylbenzamide
CID 3318997
N-[1-(ethylamino)-1-oxopropan-2-yl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 51110547
(3R)-N-cyclopentyl-1-[[5-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]piperidine-3-carboxamide
CID 93058388
(3S)-N-cyclopentyl-1-[[5-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]piperidine-3-carboxamide
CID 93058387

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide?
The IUPAC name of N-cycloheptyl-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide (CID 18107883) is N-cycloheptyl-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-cycloheptyl-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-cycloheptyl-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide is O=C(NC1CCCCCC1)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1.
What is the InChIKey of N-cycloheptyl-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide?
The InChIKey is MUSQGVYQGRXJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4S/c20-16(18-13-5-3-1-2-4-6-13)15-11-14(12-17-15)24(21,22)19-7-9-23-10-8-19/h11-13,17H,1-10H2,(H,18,20).
What are the key properties of N-cycloheptyl-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide?
N-cycloheptyl-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide has a molecular weight of 355.46 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 18107883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).