2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide

C23H30FN3O3S — CID 1057735

IUPAC2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
SMILESCn1cccc1CN(C(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1)C1CC1
InChIInChI=1S/C23H30FN3O3S/c1-25-15-5-8-21(25)16-26(19-11-12-19)23(28)17-27(20-6-3-2-4-7-20)31(29,30)22-13-9-18(24)10-14-22/h5,8-10,13-15,19-20H,2-4,6-7,11-12,16-17H2,1H3
InChIKeySMKMRLDYEUEXDB-UHFFFAOYSA-N
MW447.58 g/mol
LogP3.68
Rot. Bonds8

About 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide

2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide (PubChem CID 1057735) has the molecular formula C23H30FN3O3S and a molecular weight of 447.58 g/mol. Its IUPAC name is 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
PubChem CID1057735
Molecular FormulaC23H30FN3O3S
Molecular Weight447.58 g/mol
Exact Mass447.20
IUPAC Name2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
SMILESCn1cccc1CN(C(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1)C1CC1
InChIInChI=1S/C23H30FN3O3S/c1-25-15-5-8-21(25)16-26(19-11-12-19)23(28)17-27(20-6-3-2-4-7-20)31(29,30)22-13-9-18(24)10-14-22/h5,8-10,13-15,19-20H,2-4,6-7,11-12,16-17H2,1H3
InChIKeySMKMRLDYEUEXDB-UHFFFAOYSA-N
XLogP3.68
TPSA62.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclohexyl-(4-methoxyphenyl)sulfonylamino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 1057743
N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-4-fluoro-N-propan-2-ylbenzamide
CID 1057094
N-cyclopropyl-2-(4-fluorophenoxy)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 90495847
2-[butan-2-yl-(4-methylphenyl)sulfonylamino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3956748
2-[(4-tert-butylphenyl)sulfonyl-propylamino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3940847
2-[(4-acetamidophenyl)sulfonyl-propan-2-ylamino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 1057750
N-cycloheptyl-4-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 50788666
N-cyclopropyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]cyclopropanecarboxamide
CID 811191
N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-methyl-N-propan-2-ylpropanamide
CID 42767843
2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-(3-methoxyphenyl)-N-methylacetamide
CID 100791045
N-[(2S)-butan-2-yl]-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]cyclohexanecarboxamide
CID 7217205
2-[cyclohexyl(methylsulfonyl)amino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3917937

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
The IUPAC name of 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide (CID 1057735) is 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
The canonical SMILES for 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide is Cn1cccc1CN(C(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1)C1CC1.
What is the InChIKey of 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
The InChIKey is SMKMRLDYEUEXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN3O3S/c1-25-15-5-8-21(25)16-26(19-11-12-19)23(28)17-27(20-6-3-2-4-7-20)31(29,30)22-13-9-18(24)10-14-22/h5,8-10,13-15,19-20H,2-4,6-7,11-12,16-17H2,1H3.
What are the key properties of 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide has a molecular weight of 447.58 g/mol, XLogP of 3.68, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide is sourced from PubChem (CID 1057735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).