1-[(2R)-4-(furan-2-yl)butan-2-yl]-3-[3-(methanesulfonamido)-4-methoxyphenyl]urea

C17H23N3O5S — CID 97434915

IUPAC1-[(2R)-4-(furan-2-yl)butan-2-yl]-3-[3-(methanesulfonamido)-4-methoxyphenyl]urea
SMILESCOc1ccc(NC(=O)N[C@H](C)CCc2ccco2)cc1NS(C)(=O)=O
InChIInChI=1S/C17H23N3O5S/c1-12(6-8-14-5-4-10-25-14)18-17(21)19-13-7-9-16(24-2)15(11-13)20-26(3,22)23/h4-5,7,9-12,20H,6,8H2,1-3H3,(H2,18,19,21)/t12-/m1/s1
InChIKeyATOJXDGSYZQMKO-GFCCVEGCSA-N
MW381.45 g/mol
LogP2.80
Rot. Bonds8

About 1-[(2R)-4-(furan-2-yl)butan-2-yl]-3-[3-(methanesulfonamido)-4-methoxyphenyl]urea

1-[(2R)-4-(furan-2-yl)butan-2-yl]-3-[3-(methanesulfonamido)-4-methoxyphenyl]urea (PubChem CID 97434915) has the molecular formula C17H23N3O5S and a molecular weight of 381.45 g/mol. Its IUPAC name is 1-[(2R)-4-(furan-2-yl)butan-2-yl]-3-[3-(methanesulfonamido)-4-methoxyphenyl]urea.

Molecular Properties

Compound Name1-[(2R)-4-(furan-2-yl)butan-2-yl]-3-[3-(methanesulfonamido)-4-methoxyphenyl]urea
PubChem CID97434915
Molecular FormulaC17H23N3O5S
Molecular Weight381.45 g/mol
Exact Mass381.14
IUPAC Name1-[(2R)-4-(furan-2-yl)butan-2-yl]-3-[3-(methanesulfonamido)-4-methoxyphenyl]urea
SMILESCOc1ccc(NC(=O)N[C@H](C)CCc2ccco2)cc1NS(C)(=O)=O
InChIInChI=1S/C17H23N3O5S/c1-12(6-8-14-5-4-10-25-14)18-17(21)19-13-7-9-16(24-2)15(11-13)20-26(3,22)23/h4-5,7,9-12,20H,6,8H2,1-3H3,(H2,18,19,21)/t12-/m1/s1
InChIKeyATOJXDGSYZQMKO-GFCCVEGCSA-N
XLogP2.80
TPSA109.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[(2R)-4-(furan-2-yl)butan-2-yl]-3-[3-(methanesulfonamido)-4-methoxyphenyl]urea with MolForge

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Related Compounds

1-(3-fluorophenyl)-3-[(2R)-4-(furan-2-yl)butan-2-yl]urea
CID 1460428
1-[(3S)-hex-5-en-3-yl]-3-[3-(methanesulfonamido)-4-methoxyphenyl]urea
CID 124889174
N-[3-[4-(furan-2-yl)butan-2-ylamino]-4-methylphenyl]acetamide
CID 43739655
N-[4-methoxy-3-[[(2S)-4-phenylbutan-2-yl]carbamoylamino]phenyl]acetamide
CID 52505927
N-[4-methoxy-3-[[(2R)-4-phenylbutan-2-yl]carbamoylamino]phenyl]acetamide
CID 52505928
5-[4-(furan-2-yl)butan-2-ylamino]-2-methoxyphenol
CID 43743871
N-[4-(furan-2-yl)butan-2-yl]-3-hydroxy-4-methoxybenzamide
CID 79671902
N-[4-(furan-2-yl)butan-2-yl]-2,5-dimethoxyaniline
CID 43478801
N-[4-(furan-2-yl)butan-2-yl]-2-methoxybenzamide
CID 18162458
N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methylfuran-3-carboxamide
CID 134019111
N-[4-(furan-2-yl)butan-2-yl]-3-methyl-2-(phenylcarbamoylamino)butanamide
CID 55364071
1-[1-(furan-2-yl)propan-2-yl]-3-(3-methoxyphenyl)urea
CID 47172007

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-4-(furan-2-yl)butan-2-yl]-3-[3-(methanesulfonamido)-4-methoxyphenyl]urea?
The IUPAC name of 1-[(2R)-4-(furan-2-yl)butan-2-yl]-3-[3-(methanesulfonamido)-4-methoxyphenyl]urea (CID 97434915) is 1-[(2R)-4-(furan-2-yl)butan-2-yl]-3-[3-(methanesulfonamido)-4-methoxyphenyl]urea.
What is the SMILES notation for 1-[(2R)-4-(furan-2-yl)butan-2-yl]-3-[3-(methanesulfonamido)-4-methoxyphenyl]urea?
The canonical SMILES for 1-[(2R)-4-(furan-2-yl)butan-2-yl]-3-[3-(methanesulfonamido)-4-methoxyphenyl]urea is COc1ccc(NC(=O)N[C@H](C)CCc2ccco2)cc1NS(C)(=O)=O.
What is the InChIKey of 1-[(2R)-4-(furan-2-yl)butan-2-yl]-3-[3-(methanesulfonamido)-4-methoxyphenyl]urea?
The InChIKey is ATOJXDGSYZQMKO-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H23N3O5S/c1-12(6-8-14-5-4-10-25-14)18-17(21)19-13-7-9-16(24-2)15(11-13)20-26(3,22)23/h4-5,7,9-12,20H,6,8H2,1-3H3,(H2,18,19,21)/t12-/m1/s1.
What are the key properties of 1-[(2R)-4-(furan-2-yl)butan-2-yl]-3-[3-(methanesulfonamido)-4-methoxyphenyl]urea?
1-[(2R)-4-(furan-2-yl)butan-2-yl]-3-[3-(methanesulfonamido)-4-methoxyphenyl]urea has a molecular weight of 381.45 g/mol, XLogP of 2.80, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-4-(furan-2-yl)butan-2-yl]-3-[3-(methanesulfonamido)-4-methoxyphenyl]urea is sourced from PubChem (CID 97434915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).