N-[4-[(carbamoylamino)methyl]phenyl]sulfonyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide

C18H24N4O5S — CID 47824015

IUPACN-[4-[(carbamoylamino)methyl]phenyl]sulfonyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
SMILESNC(=O)NCc1ccc(S(=O)(=O)NC(=O)C2CC(=O)N(C3CCCC3)C2)cc1
InChIInChI=1S/C18H24N4O5S/c19-18(25)20-10-12-5-7-15(8-6-12)28(26,27)21-17(24)13-9-16(23)22(11-13)14-3-1-2-4-14/h5-8,13-14H,1-4,9-11H2,(H,21,24)(H3,19,20,25)
InChIKeyDYZGGXHBSFJIRZ-UHFFFAOYSA-N
MW408.48 g/mol
LogP0.45
Rot. Bonds6

About N-[4-[(carbamoylamino)methyl]phenyl]sulfonyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide

N-[4-[(carbamoylamino)methyl]phenyl]sulfonyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 47824015) has the molecular formula C18H24N4O5S and a molecular weight of 408.48 g/mol. Its IUPAC name is N-[4-[(carbamoylamino)methyl]phenyl]sulfonyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(carbamoylamino)methyl]phenyl]sulfonyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
PubChem CID47824015
Molecular FormulaC18H24N4O5S
Molecular Weight408.48 g/mol
Exact Mass408.15
IUPAC NameN-[4-[(carbamoylamino)methyl]phenyl]sulfonyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
SMILESNC(=O)NCc1ccc(S(=O)(=O)NC(=O)C2CC(=O)N(C3CCCC3)C2)cc1
InChIInChI=1S/C18H24N4O5S/c19-18(25)20-10-12-5-7-15(8-6-12)28(26,27)21-17(24)13-9-16(23)22(11-13)14-3-1-2-4-14/h5-8,13-14H,1-4,9-11H2,(H,21,24)(H3,19,20,25)
InChIKeyDYZGGXHBSFJIRZ-UHFFFAOYSA-N
XLogP0.45
TPSA138.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(carbamoylamino)methyl]phenyl]sulfonyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[4-[(carbamoylamino)methyl]phenyl]sulfonyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide (CID 47824015) is N-[4-[(carbamoylamino)methyl]phenyl]sulfonyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-[(carbamoylamino)methyl]phenyl]sulfonyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-[(carbamoylamino)methyl]phenyl]sulfonyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide is NC(=O)NCc1ccc(S(=O)(=O)NC(=O)C2CC(=O)N(C3CCCC3)C2)cc1.
What is the InChIKey of N-[4-[(carbamoylamino)methyl]phenyl]sulfonyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is DYZGGXHBSFJIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O5S/c19-18(25)20-10-12-5-7-15(8-6-12)28(26,27)21-17(24)13-9-16(23)22(11-13)14-3-1-2-4-14/h5-8,13-14H,1-4,9-11H2,(H,21,24)(H3,19,20,25).
What are the key properties of N-[4-[(carbamoylamino)methyl]phenyl]sulfonyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
N-[4-[(carbamoylamino)methyl]phenyl]sulfonyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 408.48 g/mol, XLogP of 0.45, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(carbamoylamino)methyl]phenyl]sulfonyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 47824015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).